(3R)-N-cyclohexyl-N-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide

C19H24N2OS — CID 14925497

IUPAC(3R)-N-cyclohexyl-N-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide
SMILESCN(C(=O)[C@H]1Cc2c(sc3ccccc23)CN1)C1CCCCC1
InChIInChI=1S/C19H24N2OS/c1-21(13-7-3-2-4-8-13)19(22)16-11-15-14-9-5-6-10-17(14)23-18(15)12-20-16/h5-6,9-10,13,16,20H,2-4,7-8,11-12H2,1H3/t16-/m1/s1
InChIKeyGCQNUUXHRJUIAP-MRXNPFEDSA-N
MW328.48 g/mol
LogP3.71
Rot. Bonds2

About (3R)-N-cyclohexyl-N-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide

(3R)-N-cyclohexyl-N-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide (PubChem CID 14925497) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is (3R)-N-cyclohexyl-N-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclohexyl-N-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide
PubChem CID14925497
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name(3R)-N-cyclohexyl-N-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide
SMILESCN(C(=O)[C@H]1Cc2c(sc3ccccc23)CN1)C1CCCCC1
InChIInChI=1S/C19H24N2OS/c1-21(13-7-3-2-4-8-13)19(22)16-11-15-14-9-5-6-10-17(14)23-18(15)12-20-16/h5-6,9-10,13,16,20H,2-4,7-8,11-12H2,1H3/t16-/m1/s1
InChIKeyGCQNUUXHRJUIAP-MRXNPFEDSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-cyclohexyl-N-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

Proline scaffold, 28
CID 42618125
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CID 23625950
N-[1-[[(2R)-1-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 23626108
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N-[4-[[(1R)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]-1-benzothiophene-2-carboxamide
CID 71734031
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CID 398394
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CID 131108
1-(Benzothiophen-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 6481408
(E)-5-amino-N-[(2R)-3-(1-benzothiophen-3-yl)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide
CID 10721075
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Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclohexyl-N-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-N-cyclohexyl-N-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide (CID 14925497) is (3R)-N-cyclohexyl-N-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclohexyl-N-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclohexyl-N-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide is CN(C(=O)[C@H]1Cc2c(sc3ccccc23)CN1)C1CCCCC1.
What is the InChIKey of (3R)-N-cyclohexyl-N-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide?
The InChIKey is GCQNUUXHRJUIAP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-21(13-7-3-2-4-8-13)19(22)16-11-15-14-9-5-6-10-17(14)23-18(15)12-20-16/h5-6,9-10,13,16,20H,2-4,7-8,11-12H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-N-cyclohexyl-N-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide?
(3R)-N-cyclohexyl-N-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide has a molecular weight of 328.48 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclohexyl-N-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 14925497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).