1-[1-(2,3-dihydro-1H-indol-5-ylsulfonyl)piperidin-4-yl]ethanol

C15H22N2O3S — CID 106836439

IUPAC1-[1-(2,3-dihydro-1H-indol-5-ylsulfonyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCN3)CC1
InChIInChI=1S/C15H22N2O3S/c1-11(18)12-5-8-17(9-6-12)21(19,20)14-2-3-15-13(10-14)4-7-16-15/h2-3,10-12,16,18H,4-9H2,1H3
InChIKeyOWYUJUGNEAQPDJ-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.44
Rot. Bonds3

About 1-[1-(2,3-dihydro-1H-indol-5-ylsulfonyl)piperidin-4-yl]ethanol

1-[1-(2,3-dihydro-1H-indol-5-ylsulfonyl)piperidin-4-yl]ethanol (PubChem CID 106836439) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-indol-5-ylsulfonyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1H-indol-5-ylsulfonyl)piperidin-4-yl]ethanol
PubChem CID106836439
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-[1-(2,3-dihydro-1H-indol-5-ylsulfonyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCN3)CC1
InChIInChI=1S/C15H22N2O3S/c1-11(18)12-5-8-17(9-6-12)21(19,20)14-2-3-15-13(10-14)4-7-16-15/h2-3,10-12,16,18H,4-9H2,1H3
InChIKeyOWYUJUGNEAQPDJ-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 115965542
4-(2,3-dihydro-1H-indol-5-ylsulfonyl)thiomorpholine
CID 43119942
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834597
1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834649
6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 7064078
4-methyl-1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-4-ol
CID 81108199
7-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-3,4-dihydro-2H-isoquinolin-1-one;hydrochloride
CID 119975001
7-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 119974817
1-[1-[(6-amino-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol
CID 106835157
3-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 106835672
4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine
CID 43119943
6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
CID 28940779

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1H-indol-5-ylsulfonyl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(2,3-dihydro-1H-indol-5-ylsulfonyl)piperidin-4-yl]ethanol (CID 106836439) is 1-[1-(2,3-dihydro-1H-indol-5-ylsulfonyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2,3-dihydro-1H-indol-5-ylsulfonyl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(2,3-dihydro-1H-indol-5-ylsulfonyl)piperidin-4-yl]ethanol is CC(O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCN3)CC1.
What is the InChIKey of 1-[1-(2,3-dihydro-1H-indol-5-ylsulfonyl)piperidin-4-yl]ethanol?
The InChIKey is OWYUJUGNEAQPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(18)12-5-8-17(9-6-12)21(19,20)14-2-3-15-13(10-14)4-7-16-15/h2-3,10-12,16,18H,4-9H2,1H3.
What are the key properties of 1-[1-(2,3-dihydro-1H-indol-5-ylsulfonyl)piperidin-4-yl]ethanol?
1-[1-(2,3-dihydro-1H-indol-5-ylsulfonyl)piperidin-4-yl]ethanol has a molecular weight of 310.42 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1H-indol-5-ylsulfonyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 106836439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).