(3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine

C14H21NO2S — CID 58394752

IUPAC(3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine
SMILESCC(C)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H21NO2S/c1-12(2)13-7-6-10-15(11-13)18(16,17)14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3/t13-/m1/s1
InChIKeyNZNHBASHWZFQPJ-CYBMUJFWSA-N
MW267.39 g/mol
LogP2.74
Rot. Bonds3

About (3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine

(3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine (PubChem CID 58394752) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is (3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine
PubChem CID58394752
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name(3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine
SMILESCC(C)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H21NO2S/c1-12(2)13-7-6-10-15(11-13)18(16,17)14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3/t13-/m1/s1
InChIKeyNZNHBASHWZFQPJ-CYBMUJFWSA-N
XLogP2.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine
CID 134383141
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 55257807
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984215
1-(benzenesulfonyl)piperidine-3-carbaldehyde
CID 63845737
(1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124684747
(1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124553884
1-(benzenesulfonyl)-3-(chloromethyl)piperidine
CID 63397663
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 39878026
1-[1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984263
(3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 40714493

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine?
The IUPAC name of (3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine (CID 58394752) is (3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine.
What is the SMILES notation for (3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine?
The canonical SMILES for (3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine is CC(C)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine?
The InChIKey is NZNHBASHWZFQPJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-12(2)13-7-6-10-15(11-13)18(16,17)14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine?
(3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine has a molecular weight of 267.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine is sourced from PubChem (CID 58394752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).