N-(1,4-dithian-2-ylmethyl)-1H-indole-7-carboxamide

C14H16N2OS2 — CID 115686996

IUPACN-(1,4-dithian-2-ylmethyl)-1H-indole-7-carboxamide
SMILESO=C(NCC1CSCCS1)c1cccc2cc[nH]c12
InChIInChI=1S/C14H16N2OS2/c17-14(16-8-11-9-18-6-7-19-11)12-3-1-2-10-4-5-15-13(10)12/h1-5,11,15H,6-9H2,(H,16,17)
InChIKeyFCMVAHXILADLDU-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.75
Rot. Bonds3

About N-(1,4-dithian-2-ylmethyl)-1H-indole-7-carboxamide

N-(1,4-dithian-2-ylmethyl)-1H-indole-7-carboxamide (PubChem CID 115686996) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(1,4-dithian-2-ylmethyl)-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(1,4-dithian-2-ylmethyl)-1H-indole-7-carboxamide
PubChem CID115686996
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC NameN-(1,4-dithian-2-ylmethyl)-1H-indole-7-carboxamide
SMILESO=C(NCC1CSCCS1)c1cccc2cc[nH]c12
InChIInChI=1S/C14H16N2OS2/c17-14(16-8-11-9-18-6-7-19-11)12-3-1-2-10-4-5-15-13(10)12/h1-5,11,15H,6-9H2,(H,16,17)
InChIKeyFCMVAHXILADLDU-UHFFFAOYSA-N
XLogP2.75
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(1,4-dithian-2-ylmethyl)benzamide
CID 115684611
N-(1,4-dithian-2-ylmethyl)-1-hydroxynaphthalene-2-carboxamide
CID 115687797
N-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide
CID 80564493
N-(2-cyclobutylethyl)-1H-indole-7-carboxamide
CID 115687252
3-chloro-N-(1,4-dithian-2-ylmethyl)-2-nitrobenzamide
CID 115686974
N-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole-7-carboxamide
CID 103707474
6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride
CID 119999138
5-chloro-N-(1,4-dithian-2-ylmethyl)-2-fluorobenzamide
CID 115684594
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-indole-7-carboxamide
CID 103800511
5-bromo-N-(1,4-dithian-2-ylmethyl)-2-hydroxybenzamide
CID 103741677
N-(1,4-dithian-2-ylmethyl)-2-fluoro-4-hydroxybenzamide
CID 113355825
3-(difluoromethoxy)-N-(1,4-dithian-2-ylmethyl)benzamide
CID 122150276

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dithian-2-ylmethyl)-1H-indole-7-carboxamide?
The IUPAC name of N-(1,4-dithian-2-ylmethyl)-1H-indole-7-carboxamide (CID 115686996) is N-(1,4-dithian-2-ylmethyl)-1H-indole-7-carboxamide.
What is the SMILES notation for N-(1,4-dithian-2-ylmethyl)-1H-indole-7-carboxamide?
The canonical SMILES for N-(1,4-dithian-2-ylmethyl)-1H-indole-7-carboxamide is O=C(NCC1CSCCS1)c1cccc2cc[nH]c12.
What is the InChIKey of N-(1,4-dithian-2-ylmethyl)-1H-indole-7-carboxamide?
The InChIKey is FCMVAHXILADLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c17-14(16-8-11-9-18-6-7-19-11)12-3-1-2-10-4-5-15-13(10)12/h1-5,11,15H,6-9H2,(H,16,17).
What are the key properties of N-(1,4-dithian-2-ylmethyl)-1H-indole-7-carboxamide?
N-(1,4-dithian-2-ylmethyl)-1H-indole-7-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dithian-2-ylmethyl)-1H-indole-7-carboxamide is sourced from PubChem (CID 115686996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).