N-propan-2-yl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide

C15H19NOS2 — CID 20913288

IUPACN-propan-2-yl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide
SMILESCC(C)NC(=O)C1=Cc2sc3c(c2CS1)CCCC3
InChIInChI=1S/C15H19NOS2/c1-9(2)16-15(17)14-7-13-11(8-18-14)10-5-3-4-6-12(10)19-13/h7,9H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyMYYVJEKPRAAONT-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.74
Rot. Bonds2

About N-propan-2-yl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide

N-propan-2-yl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide (PubChem CID 20913288) has the molecular formula C15H19NOS2 and a molecular weight of 293.46 g/mol. Its IUPAC name is N-propan-2-yl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide
PubChem CID20913288
Molecular FormulaC15H19NOS2
Molecular Weight293.46 g/mol
Exact Mass293.09
IUPAC NameN-propan-2-yl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide
SMILESCC(C)NC(=O)C1=Cc2sc3c(c2CS1)CCCC3
InChIInChI=1S/C15H19NOS2/c1-9(2)16-15(17)14-7-13-11(8-18-14)10-5-3-4-6-12(10)19-13/h7,9H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyMYYVJEKPRAAONT-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-propan-2-yl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide with MolForge

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Related Compounds

N-(2-methylphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide
CID 20913283
N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide
CID 20913333
N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide
CID 20913339
N-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide
CID 20913245
N-[2-(1H-indol-3-yl)ethyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide
CID 46276373
N-(4-chlorophenyl)-7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide
CID 20913407
[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiol-3-yl)methanone
CID 92706027
N-(2,4-dimethoxyphenyl)-7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide
CID 20913417
N-[(3-methoxyphenyl)methyl]-7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide
CID 20913441
2-[(2-chlorobenzoyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1366994
N-(3-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 43016539
N-methyl-2-[(4-propan-2-yloxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1157522

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide?
The IUPAC name of N-propan-2-yl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide (CID 20913288) is N-propan-2-yl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide?
The canonical SMILES for N-propan-2-yl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide is CC(C)NC(=O)C1=Cc2sc3c(c2CS1)CCCC3.
What is the InChIKey of N-propan-2-yl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide?
The InChIKey is MYYVJEKPRAAONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS2/c1-9(2)16-15(17)14-7-13-11(8-18-14)10-5-3-4-6-12(10)19-13/h7,9H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of N-propan-2-yl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide?
N-propan-2-yl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide has a molecular weight of 293.46 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide is sourced from PubChem (CID 20913288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).