2-cyanopropanamide;12-cyclohexyloxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene;morpholine

C23H33N5O3S — CID 144752412

IUPAC2-cyanopropanamide;12-cyclohexyloxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene;morpholine
SMILESC1COCCN1.CC(C#N)C(N)=O.c1nc(OC2CCCCC2)c2c3c(sc2n1)CCC3
InChIInChI=1S/C15H18N2OS.C4H6N2O.C4H9NO/c1-2-5-10(6-3-1)18-14-13-11-7-4-8-12(11)19-15(13)17-9-16-14;1-3(2-5)4(6)7;1-3-6-4-2-5-1/h9-10H,1-8H2;3H,1H3,(H2,6,7);5H,1-4H2
InChIKeyYOHRHSPWDDYRGK-UHFFFAOYSA-N
MW459.62 g/mol
LogP3.13
Rot. Bonds3

About 2-cyanopropanamide;12-cyclohexyloxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene;morpholine

2-cyanopropanamide;12-cyclohexyloxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene;morpholine (PubChem CID 144752412) has the molecular formula C23H33N5O3S and a molecular weight of 459.62 g/mol. Its IUPAC name is 2-cyanopropanamide;12-cyclohexyloxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene;morpholine.

Molecular Properties

Compound Name2-cyanopropanamide;12-cyclohexyloxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene;morpholine
PubChem CID144752412
Molecular FormulaC23H33N5O3S
Molecular Weight459.62 g/mol
Exact Mass459.23
IUPAC Name2-cyanopropanamide;12-cyclohexyloxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene;morpholine
SMILESC1COCCN1.CC(C#N)C(N)=O.c1nc(OC2CCCCC2)c2c3c(sc2n1)CCC3
InChIInChI=1S/C15H18N2OS.C4H6N2O.C4H9NO/c1-2-5-10(6-3-1)18-14-13-11-7-4-8-12(11)19-15(13)17-9-16-14;1-3(2-5)4(6)7;1-3-6-4-2-5-1/h9-10H,1-8H2;3H,1H3,(H2,6,7);5H,1-4H2
InChIKeyYOHRHSPWDDYRGK-UHFFFAOYSA-N
XLogP3.13
TPSA123.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-cyanopropanamide;12-cyclohexyloxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene;morpholine with MolForge

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Related Compounds

12-cyclohexyloxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene;ethane;2-hydroxypropanenitrile;morpholine
CID 144752416
12-cyclohexyloxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene;methanamine;propanamide;hydroiodide
CID 144752336
12-cyclohexyloxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene;2-oxa-6-azaspiro[3.3]heptane
CID 144752476
acetonitrile;12-cyclohexyloxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene;ethane;N-ethylpropan-1-amine;methane
CID 144752470
2-(4-cyclohexyloxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-6-yl)acetamide
CID 123690672
2,2-difluoropropanoic acid;N,N-dimethyl-4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yloxy)cyclohexan-1-amine;ethane
CID 144752432
4-[4-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yloxy)cyclohexyl]morpholine
CID 86695248
N-propan-2-yl-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yloxy)acetamide
CID 51139476
N-cyclopentyl-2-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-yloxy)acetamide
CID 112776080
2-[(6S)-4-(4-aminocyclohexyl)oxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-6-yl]acetamide;hydrochloride
CID 86695173
4-methoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 717679
2-(12-cyclohexyloxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl)ethanol
CID 77412612

Frequently Asked Questions

What is the IUPAC name of 2-cyanopropanamide;12-cyclohexyloxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene;morpholine?
The IUPAC name of 2-cyanopropanamide;12-cyclohexyloxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene;morpholine (CID 144752412) is 2-cyanopropanamide;12-cyclohexyloxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene;morpholine.
What is the SMILES notation for 2-cyanopropanamide;12-cyclohexyloxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene;morpholine?
The canonical SMILES for 2-cyanopropanamide;12-cyclohexyloxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene;morpholine is C1COCCN1.CC(C#N)C(N)=O.c1nc(OC2CCCCC2)c2c3c(sc2n1)CCC3.
What is the InChIKey of 2-cyanopropanamide;12-cyclohexyloxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene;morpholine?
The InChIKey is YOHRHSPWDDYRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS.C4H6N2O.C4H9NO/c1-2-5-10(6-3-1)18-14-13-11-7-4-8-12(11)19-15(13)17-9-16-14;1-3(2-5)4(6)7;1-3-6-4-2-5-1/h9-10H,1-8H2;3H,1H3,(H2,6,7);5H,1-4H2.
What are the key properties of 2-cyanopropanamide;12-cyclohexyloxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene;morpholine?
2-cyanopropanamide;12-cyclohexyloxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene;morpholine has a molecular weight of 459.62 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanopropanamide;12-cyclohexyloxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene;morpholine is sourced from PubChem (CID 144752412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).