3-(2-methylfuran-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile

C15H22N2OS — CID 107781749

IUPAC3-(2-methylfuran-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC(Sc2ccoc2C)C1
InChIInChI=1S/C15H22N2OS/c1-3-8-17-15(11-16)7-4-5-13(10-15)19-14-6-9-18-12(14)2/h6,9,13,17H,3-5,7-8,10H2,1-2H3
InChIKeyADYUQJZMNVRWEH-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.88
Rot. Bonds5

About 3-(2-methylfuran-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile

3-(2-methylfuran-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile (PubChem CID 107781749) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-(2-methylfuran-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-(2-methylfuran-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile
PubChem CID107781749
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name3-(2-methylfuran-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC(Sc2ccoc2C)C1
InChIInChI=1S/C15H22N2OS/c1-3-8-17-15(11-16)7-4-5-13(10-15)19-14-6-9-18-12(14)2/h6,9,13,17H,3-5,7-8,10H2,1-2H3
InChIKeyADYUQJZMNVRWEH-UHFFFAOYSA-N
XLogP3.88
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylcyclopentane-1-carbonitrile
CID 114000924
3-(2,4-dimethylphenyl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile
CID 79627940
1-(propylamino)-3-pyrimidin-2-ylsulfanylcyclohexane-1-carbonitrile
CID 79636245
3-(4-methoxyphenyl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile
CID 79628124
3-benzylsulfanyl-1-(propylamino)cyclohexane-1-carbonitrile
CID 79636241
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 79649908
3-(2-methoxyethylsulfanyl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79636236
1-(propylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile
CID 64758428
1-amino-3-(2-methylfuran-3-yl)sulfanylcyclohexane-1-carboxylic acid
CID 107782067
1-(ethylamino)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 79636719
3-butan-2-ylsulfanyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 79650293
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79626442

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylfuran-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-(2-methylfuran-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile (CID 107781749) is 3-(2-methylfuran-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-(2-methylfuran-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-(2-methylfuran-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile is CCCNC1(C#N)CCCC(Sc2ccoc2C)C1.
What is the InChIKey of 3-(2-methylfuran-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile?
The InChIKey is ADYUQJZMNVRWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-3-8-17-15(11-16)7-4-5-13(10-15)19-14-6-9-18-12(14)2/h6,9,13,17H,3-5,7-8,10H2,1-2H3.
What are the key properties of 3-(2-methylfuran-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile?
3-(2-methylfuran-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile has a molecular weight of 278.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylfuran-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 107781749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).