N-(thian-2-ylmethyl)-2,3-dihydro-1H-indole-6-sulfonamide

C14H20N2O2S2 — CID 80600536

IUPACN-(thian-2-ylmethyl)-2,3-dihydro-1H-indole-6-sulfonamide
SMILESO=S(=O)(NCC1CCCCS1)c1ccc2c(c1)NCC2
InChIInChI=1S/C14H20N2O2S2/c17-20(18,16-10-12-3-1-2-8-19-12)13-5-4-11-6-7-15-14(11)9-13/h4-5,9,12,15-16H,1-3,6-8,10H2
InChIKeyMPHNLIWRLJKPTD-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.22
Rot. Bonds4

About N-(thian-2-ylmethyl)-2,3-dihydro-1H-indole-6-sulfonamide

N-(thian-2-ylmethyl)-2,3-dihydro-1H-indole-6-sulfonamide (PubChem CID 80600536) has the molecular formula C14H20N2O2S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-(thian-2-ylmethyl)-2,3-dihydro-1H-indole-6-sulfonamide.

Molecular Properties

Compound NameN-(thian-2-ylmethyl)-2,3-dihydro-1H-indole-6-sulfonamide
PubChem CID80600536
Molecular FormulaC14H20N2O2S2
Molecular Weight312.46 g/mol
Exact Mass312.10
IUPAC NameN-(thian-2-ylmethyl)-2,3-dihydro-1H-indole-6-sulfonamide
SMILESO=S(=O)(NCC1CCCCS1)c1ccc2c(c1)NCC2
InChIInChI=1S/C14H20N2O2S2/c17-20(18,16-10-12-3-1-2-8-19-12)13-5-4-11-6-7-15-14(11)9-13/h4-5,9,12,15-16H,1-3,6-8,10H2
InChIKeyMPHNLIWRLJKPTD-UHFFFAOYSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80613183
N-thiophen-3-yl-2,3-dihydro-1H-indole-6-sulfonamide
CID 66356499
2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide
CID 80601215
3-(methylaminomethyl)-N-(thian-2-ylmethyl)benzenesulfonamide
CID 106072115
4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 81438293
4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80609830
N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 107414189
N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide
CID 114469007
N-(oxolan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 62823134
N-[4-(2-chloroacetyl)phenyl]-2,3-dihydro-1H-indole-6-sulfonamide
CID 90701518
N-(2-cyclopentyloxyethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 63829043
2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide
CID 80613102

Frequently Asked Questions

What is the IUPAC name of N-(thian-2-ylmethyl)-2,3-dihydro-1H-indole-6-sulfonamide?
The IUPAC name of N-(thian-2-ylmethyl)-2,3-dihydro-1H-indole-6-sulfonamide (CID 80600536) is N-(thian-2-ylmethyl)-2,3-dihydro-1H-indole-6-sulfonamide.
What is the SMILES notation for N-(thian-2-ylmethyl)-2,3-dihydro-1H-indole-6-sulfonamide?
The canonical SMILES for N-(thian-2-ylmethyl)-2,3-dihydro-1H-indole-6-sulfonamide is O=S(=O)(NCC1CCCCS1)c1ccc2c(c1)NCC2.
What is the InChIKey of N-(thian-2-ylmethyl)-2,3-dihydro-1H-indole-6-sulfonamide?
The InChIKey is MPHNLIWRLJKPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S2/c17-20(18,16-10-12-3-1-2-8-19-12)13-5-4-11-6-7-15-14(11)9-13/h4-5,9,12,15-16H,1-3,6-8,10H2.
What are the key properties of N-(thian-2-ylmethyl)-2,3-dihydro-1H-indole-6-sulfonamide?
N-(thian-2-ylmethyl)-2,3-dihydro-1H-indole-6-sulfonamide has a molecular weight of 312.46 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-2-ylmethyl)-2,3-dihydro-1H-indole-6-sulfonamide is sourced from PubChem (CID 80600536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).