1-(1H-indol-7-yl)-N-methylmethanesulfonamide

C10H12N2O2S — CID 146446841

IUPAC1-(1H-indol-7-yl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1cccc2cc[nH]c12
InChIInChI=1S/C10H12N2O2S/c1-11-15(13,14)7-9-4-2-3-8-5-6-12-10(8)9/h2-6,11-12H,7H2,1H3
InChIKeyMVOXGJHZFIYOAA-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.22
Rot. Bonds3

About 1-(1H-indol-7-yl)-N-methylmethanesulfonamide

1-(1H-indol-7-yl)-N-methylmethanesulfonamide (PubChem CID 146446841) has the molecular formula C10H12N2O2S and a molecular weight of 224.29 g/mol. Its IUPAC name is 1-(1H-indol-7-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(1H-indol-7-yl)-N-methylmethanesulfonamide
PubChem CID146446841
Molecular FormulaC10H12N2O2S
Molecular Weight224.29 g/mol
Exact Mass224.06
IUPAC Name1-(1H-indol-7-yl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1cccc2cc[nH]c12
InChIInChI=1S/C10H12N2O2S/c1-11-15(13,14)7-9-4-2-3-8-5-6-12-10(8)9/h2-6,11-12H,7H2,1H3
InChIKeyMVOXGJHZFIYOAA-UHFFFAOYSA-N
XLogP1.22
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 69029945
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7-(4-methylpentyl)-1H-indole
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N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine
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CID 96903920
N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride
CID 115606795
7-[(2-methylpropan-2-yl)oxymethyl]-1H-indole
CID 59674725
N-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine
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4-(1H-indol-7-ylmethyl)benzoic acid
CID 175513597
7-propylsulfonyl-1H-indole
CID 162162215

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-7-yl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(1H-indol-7-yl)-N-methylmethanesulfonamide (CID 146446841) is 1-(1H-indol-7-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(1H-indol-7-yl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(1H-indol-7-yl)-N-methylmethanesulfonamide is CNS(=O)(=O)Cc1cccc2cc[nH]c12.
What is the InChIKey of 1-(1H-indol-7-yl)-N-methylmethanesulfonamide?
The InChIKey is MVOXGJHZFIYOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-11-15(13,14)7-9-4-2-3-8-5-6-12-10(8)9/h2-6,11-12H,7H2,1H3.
What are the key properties of 1-(1H-indol-7-yl)-N-methylmethanesulfonamide?
1-(1H-indol-7-yl)-N-methylmethanesulfonamide has a molecular weight of 224.29 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-7-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 146446841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).