2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-indole

C12H17NO2S — CID 115104067

IUPAC2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-indole
SMILESCC(C)S(=O)(=O)CC1Cc2ccccc2N1
InChIInChI=1S/C12H17NO2S/c1-9(2)16(14,15)8-11-7-10-5-3-4-6-12(10)13-11/h3-6,9,11,13H,7-8H2,1-2H3
InChIKeyMJWCJJYXJPITKJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.85
Rot. Bonds3

About 2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-indole

2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-indole (PubChem CID 115104067) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-indole
PubChem CID115104067
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-indole
SMILESCC(C)S(=O)(=O)CC1Cc2ccccc2N1
InChIInChI=1S/C12H17NO2S/c1-9(2)16(14,15)8-11-7-10-5-3-4-6-12(10)13-11/h3-6,9,11,13H,7-8H2,1-2H3
InChIKeyMJWCJJYXJPITKJ-UHFFFAOYSA-N
XLogP1.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methylpropan-2-amine
CID 80567683
2-(2-methylbutyl)-2,3-dihydro-1H-indole
CID 65042120
N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine
CID 130522123
[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 82667971
(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole
CID 26338665
(2R)-2-prop-2-enyl-2,3-dihydro-1H-indole
CID 1380957
(2R)-2-benzyl-2,3-dihydro-1H-indole
CID 71608217
2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride
CID 165454907
2-nonyl-2,3-dihydro-1H-indole
CID 65041926
N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-(2-methylpropyl)cyclopentanamine
CID 80568085
4-(propan-2-ylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104292
2-butan-2-yl-2,3-dihydro-1H-indole
CID 70399536

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-indole (CID 115104067) is 2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-indole is CC(C)S(=O)(=O)CC1Cc2ccccc2N1.
What is the InChIKey of 2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-indole?
The InChIKey is MJWCJJYXJPITKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9(2)16(14,15)8-11-7-10-5-3-4-6-12(10)13-11/h3-6,9,11,13H,7-8H2,1-2H3.
What are the key properties of 2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-indole?
2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-indole has a molecular weight of 239.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 115104067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).