N-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride

C14H21ClN2O2S — CID 120716762

IUPACN-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(N[C@H]1CCCNC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H20N2O2S.ClH/c17-19(18,16-13-5-2-8-15-10-13)14-7-6-11-3-1-4-12(11)9-14;/h6-7,9,13,15-16H,1-5,8,10H2;1H/t13-;/m0./s1
InChIKeyYKWSQKQBXSZIDU-ZOWNYOTGSA-N
MW316.85 g/mol
LogP1.63
Rot. Bonds3

About N-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride

N-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride (PubChem CID 120716762) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is N-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
PubChem CID120716762
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC NameN-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(N[C@H]1CCCNC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H20N2O2S.ClH/c17-19(18,16-13-5-2-8-15-10-13)14-7-6-11-3-1-4-12(11)9-14;/h6-7,9,13,15-16H,1-5,8,10H2;1H/t13-;/m0./s1
InChIKeyYKWSQKQBXSZIDU-ZOWNYOTGSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-3-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43120037
N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 120723735
N-piperidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 63320918
3-acetyl-N-piperidin-3-yl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide;hydrochloride
CID 120999503
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
N-piperidin-3-ylnaphthalene-2-sulfonamide
CID 63321555
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119964117
1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119964163
4-bromo-3-methyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964198
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 119979394
3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964195
3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 106606906

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride?
The IUPAC name of N-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride (CID 120716762) is N-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride?
The canonical SMILES for N-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride is Cl.O=S(=O)(N[C@H]1CCCNC1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride?
The InChIKey is YKWSQKQBXSZIDU-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H20N2O2S.ClH/c17-19(18,16-13-5-2-8-15-10-13)14-7-6-11-3-1-4-12(11)9-14;/h6-7,9,13,15-16H,1-5,8,10H2;1H/t13-;/m0./s1.
What are the key properties of N-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride?
N-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride has a molecular weight of 316.85 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120716762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).