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

C18H24N2OS — CID 14925503

IUPAC(3R)-N-hexyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide
SMILESCCCCCCNC(=O)[C@H]1Cc2c(sc3ccccc23)CN1
InChIInChI=1S/C18H24N2OS/c1-2-3-4-7-10-19-18(21)15-11-14-13-8-5-6-9-16(13)22-17(14)12-20-15/h5-6,8-9,15,20H,2-4,7,10-12H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyFACWIKHBNKTPKJ-OAHLLOKOSA-N
MW316.47 g/mol
LogP3.61
Rot. Bonds6

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

(3R)-N-hexyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide (PubChem CID 14925503) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is (3R)-N-hexyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-hexyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide
PubChem CID14925503
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name(3R)-N-hexyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide
SMILESCCCCCCNC(=O)[C@H]1Cc2c(sc3ccccc23)CN1
InChIInChI=1S/C18H24N2OS/c1-2-3-4-7-10-19-18(21)15-11-14-13-8-5-6-9-16(13)22-17(14)12-20-15/h5-6,8-9,15,20H,2-4,7,10-12H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyFACWIKHBNKTPKJ-OAHLLOKOSA-N
XLogP3.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

(3R)-N-pentan-3-yl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide
CID 14925508
N-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 13129434
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121
(3R)-N-(1-adamantyl)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide
CID 14925493
piperidin-1-yl-[(3R)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridin-3-yl]methanone
CID 14925510
(4R)-2-benzyl-N-hexadecyl-1,3-thiazolidine-4-carboxamide
CID 44586638
(3R)-N-cyclohexyl-N-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide
CID 14925497
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
(3S)-N-(3-propoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896803
1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109135020
5-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid
CID 103869585
(3R)-N-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61158740

Frequently Asked Questions

What is the IUPAC name of (3R)-N-hexyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-N-hexyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide (CID 14925503) is (3R)-N-hexyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-N-hexyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-N-hexyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide is CCCCCCNC(=O)[C@H]1Cc2c(sc3ccccc23)CN1.
What is the InChIKey of (3R)-N-hexyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide?
The InChIKey is FACWIKHBNKTPKJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-2-3-4-7-10-19-18(21)15-11-14-13-8-5-6-9-16(13)22-17(14)12-20-15/h5-6,8-9,15,20H,2-4,7,10-12H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (3R)-N-hexyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide?
(3R)-N-hexyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide has a molecular weight of 316.47 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-hexyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 14925503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).