3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propan-1-ol

C11H15NO3S — CID 138112782

IUPAC3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propan-1-ol
SMILESO=S(=O)(CCCO)c1ccc2c(c1)CCN2
InChIInChI=1S/C11H15NO3S/c13-6-1-7-16(14,15)10-2-3-11-9(8-10)4-5-12-11/h2-3,8,12-13H,1,4-7H2
InChIKeyZWLSZJORNPPPAK-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.81
Rot. Bonds4

About 3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propan-1-ol

3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propan-1-ol (PubChem CID 138112782) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propan-1-ol
PubChem CID138112782
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propan-1-ol
SMILESO=S(=O)(CCCO)c1ccc2c(c1)CCN2
InChIInChI=1S/C11H15NO3S/c13-6-1-7-16(14,15)10-2-3-11-9(8-10)4-5-12-11/h2-3,8,12-13H,1,4-7H2
InChIKeyZWLSZJORNPPPAK-UHFFFAOYSA-N
XLogP0.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-chloropropylsulfonyl)-2,3-dihydro-1H-indole
CID 68564334
3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propanoic acid
CID 135392633
5-ethylsulfonyl-2,3-dihydro-1H-indole
CID 134176519
N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 107200821
6-propylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 82044394
N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 107200792
N-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 106191065
N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 62693554
6-(3-aminopropylsulfonyl)-3,4-dihydro-1H-quinolin-2-one
CID 116853259
N-methyl-N-propan-2-yl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43119880
N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 115520729
4-(2,3-dihydro-1H-indol-5-ylsulfonyl)thiomorpholine
CID 43119942

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propan-1-ol (CID 138112782) is 3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propan-1-ol is O=S(=O)(CCCO)c1ccc2c(c1)CCN2.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propan-1-ol?
The InChIKey is ZWLSZJORNPPPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c13-6-1-7-16(14,15)10-2-3-11-9(8-10)4-5-12-11/h2-3,8,12-13H,1,4-7H2.
What are the key properties of 3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propan-1-ol?
3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propan-1-ol has a molecular weight of 241.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propan-1-ol is sourced from PubChem (CID 138112782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).