N-(2-methoxyethyl)-N-(2-methylpropyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide

C15H19N3O2S2 — CID 32954662

IUPACN-(2-methoxyethyl)-N-(2-methylpropyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1cc2c(nc3sccn32)s1
InChIInChI=1S/C15H19N3O2S2/c1-10(2)9-17(4-6-20-3)14(19)12-8-11-13(22-12)16-15-18(11)5-7-21-15/h5,7-8,10H,4,6,9H2,1-3H3
InChIKeyUGSMWGJMNKGVJK-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.36
Rot. Bonds6

About N-(2-methoxyethyl)-N-(2-methylpropyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide

N-(2-methoxyethyl)-N-(2-methylpropyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide (PubChem CID 32954662) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(2-methylpropyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(2-methylpropyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
PubChem CID32954662
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC NameN-(2-methoxyethyl)-N-(2-methylpropyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1cc2c(nc3sccn32)s1
InChIInChI=1S/C15H19N3O2S2/c1-10(2)9-17(4-6-20-3)14(19)12-8-11-13(22-12)16-15-18(11)5-7-21-15/h5,7-8,10H,4,6,9H2,1-3H3
InChIKeyUGSMWGJMNKGVJK-UHFFFAOYSA-N
XLogP3.36
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2-methoxyethyl)-N-(2-methylpropyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide with MolForge

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Related Compounds

N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 115902196
N-(2-hydroxyethyl)-N-propyl-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 60656085
5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxylate
CID 7063408
N-[(2R)-1-hydroxypropan-2-yl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 79031728
N-butan-2-yl-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 43019601
N-(2-ethylbutyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 115612875
N-(4-hydroxy-2-methylbutyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 66106883
butyl 5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxylate
CID 112727930
methyl 5-[[5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 31713019
N-(3-hydroxypropyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 43390165
N-(2,3-dihydroxypropyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 66176418
N-(4-methoxyphenyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 32728329

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide (CID 32954662) is N-(2-methoxyethyl)-N-(2-methylpropyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(2-methylpropyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(2-methylpropyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide is COCCN(CC(C)C)C(=O)c1cc2c(nc3sccn32)s1.
What is the InChIKey of N-(2-methoxyethyl)-N-(2-methylpropyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide?
The InChIKey is UGSMWGJMNKGVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-10(2)9-17(4-6-20-3)14(19)12-8-11-13(22-12)16-15-18(11)5-7-21-15/h5,7-8,10H,4,6,9H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-(2-methylpropyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide?
N-(2-methoxyethyl)-N-(2-methylpropyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(2-methylpropyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide is sourced from PubChem (CID 32954662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).