3-(1H-indol-3-ylsulfonyl)-2,2-dimethylpropan-1-ol

C13H17NO3S — CID 116853109

IUPAC3-(1H-indol-3-ylsulfonyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CS(=O)(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H17NO3S/c1-13(2,8-15)9-18(16,17)12-7-14-11-6-4-3-5-10(11)12/h3-7,14-15H,8-9H2,1-2H3
InChIKeyBNFWEEKMOVKTGQ-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.96
Rot. Bonds4

About 3-(1H-indol-3-ylsulfonyl)-2,2-dimethylpropan-1-ol

3-(1H-indol-3-ylsulfonyl)-2,2-dimethylpropan-1-ol (PubChem CID 116853109) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-(1H-indol-3-ylsulfonyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(1H-indol-3-ylsulfonyl)-2,2-dimethylpropan-1-ol
PubChem CID116853109
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name3-(1H-indol-3-ylsulfonyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CS(=O)(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H17NO3S/c1-13(2,8-15)9-18(16,17)12-7-14-11-6-4-3-5-10(11)12/h3-7,14-15H,8-9H2,1-2H3
InChIKeyBNFWEEKMOVKTGQ-UHFFFAOYSA-N
XLogP1.96
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylsulfonyl-1H-indole
CID 86767790
2-(1H-indol-3-ylsulfonylamino)propanoic acid
CID 82487562
tert-butyl N-(1H-indol-3-ylsulfonyl)carbamate
CID 86620846
1H-indole-3-sulfonohydrazide
CID 82284140
2-(1H-indol-3-ylsulfonyl)-N,2-dimethylpropan-1-amine;molecular hydrogen
CID 166081963
2-acetamido-N-(1H-indol-3-ylsulfonyl)-4-methylpentanamide
CID 167936324
N-chloro-1H-indole-3-sulfonamide
CID 90719858
N-(2,3-dimethylphenyl)-2-(1H-indol-3-ylsulfonyl)acetamide
CID 751478
2,2,2-tris(1H-indol-3-yl)ethanol
CID 146232723
3-(2-tert-butylsulfonylprop-2-enyl)-1H-indole
CID 13416238
4,4-difluoro-3-(1H-indol-3-ylsulfonylamino)-3-methylbutanoic acid
CID 166289280
N-(2-aminoethyl)-1H-indole-3-sulfonamide
CID 82292478

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-ylsulfonyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(1H-indol-3-ylsulfonyl)-2,2-dimethylpropan-1-ol (CID 116853109) is 3-(1H-indol-3-ylsulfonyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(1H-indol-3-ylsulfonyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(1H-indol-3-ylsulfonyl)-2,2-dimethylpropan-1-ol is CC(C)(CO)CS(=O)(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-ylsulfonyl)-2,2-dimethylpropan-1-ol?
The InChIKey is BNFWEEKMOVKTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-13(2,8-15)9-18(16,17)12-7-14-11-6-4-3-5-10(11)12/h3-7,14-15H,8-9H2,1-2H3.
What are the key properties of 3-(1H-indol-3-ylsulfonyl)-2,2-dimethylpropan-1-ol?
3-(1H-indol-3-ylsulfonyl)-2,2-dimethylpropan-1-ol has a molecular weight of 267.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-ylsulfonyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 116853109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).