3-[(3-phenylpyrrolidin-1-yl)sulfonylmethyl]piperidine

C16H24N2O2S — CID 62133046

IUPAC3-[(3-phenylpyrrolidin-1-yl)sulfonylmethyl]piperidine
SMILESO=S(=O)(CC1CCCNC1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C16H24N2O2S/c19-21(20,13-14-5-4-9-17-11-14)18-10-8-16(12-18)15-6-2-1-3-7-15/h1-3,6-7,14,16-17H,4-5,8-13H2
InChIKeyPWNOBDMNWCEIAL-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.81
Rot. Bonds4

About 3-[(3-phenylpyrrolidin-1-yl)sulfonylmethyl]piperidine

3-[(3-phenylpyrrolidin-1-yl)sulfonylmethyl]piperidine (PubChem CID 62133046) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-[(3-phenylpyrrolidin-1-yl)sulfonylmethyl]piperidine.

Molecular Properties

Compound Name3-[(3-phenylpyrrolidin-1-yl)sulfonylmethyl]piperidine
PubChem CID62133046
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name3-[(3-phenylpyrrolidin-1-yl)sulfonylmethyl]piperidine
SMILESO=S(=O)(CC1CCCNC1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C16H24N2O2S/c19-21(20,13-14-5-4-9-17-11-14)18-10-8-16(12-18)15-6-2-1-3-7-15/h1-3,6-7,14,16-17H,4-5,8-13H2
InChIKeyPWNOBDMNWCEIAL-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62085436
3-phenylpyrrolidine-1-sulfonamide
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1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199542
2-(pyrrolidin-3-ylmethylsulfonyl)-1,3-dihydroisoindole
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4-(piperidin-3-ylmethylsulfonyl)-1,4-thiazepane
CID 54972395
3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine
CID 103535343
1-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320272
1-(4-phenylpiperidin-1-yl)sulfonylpiperazine
CID 61251949
4-[1-(cyclobutylmethylsulfonyl)piperidin-4-yl]pyridine
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1-(2-phenylmorpholin-4-yl)-2-piperidin-3-ylethanone
CID 62676153

Frequently Asked Questions

What is the IUPAC name of 3-[(3-phenylpyrrolidin-1-yl)sulfonylmethyl]piperidine?
The IUPAC name of 3-[(3-phenylpyrrolidin-1-yl)sulfonylmethyl]piperidine (CID 62133046) is 3-[(3-phenylpyrrolidin-1-yl)sulfonylmethyl]piperidine.
What is the SMILES notation for 3-[(3-phenylpyrrolidin-1-yl)sulfonylmethyl]piperidine?
The canonical SMILES for 3-[(3-phenylpyrrolidin-1-yl)sulfonylmethyl]piperidine is O=S(=O)(CC1CCCNC1)N1CCC(c2ccccc2)C1.
What is the InChIKey of 3-[(3-phenylpyrrolidin-1-yl)sulfonylmethyl]piperidine?
The InChIKey is PWNOBDMNWCEIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c19-21(20,13-14-5-4-9-17-11-14)18-10-8-16(12-18)15-6-2-1-3-7-15/h1-3,6-7,14,16-17H,4-5,8-13H2.
What are the key properties of 3-[(3-phenylpyrrolidin-1-yl)sulfonylmethyl]piperidine?
3-[(3-phenylpyrrolidin-1-yl)sulfonylmethyl]piperidine has a molecular weight of 308.45 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-phenylpyrrolidin-1-yl)sulfonylmethyl]piperidine is sourced from PubChem (CID 62133046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).