(2S)-1-benzylsulfonyl-N-propan-2-ylpiperidine-2-carboxamide

C16H24N2O3S — CID 134156211

IUPAC(2S)-1-benzylsulfonyl-N-propan-2-ylpiperidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H24N2O3S/c1-13(2)17-16(19)15-10-6-7-11-18(15)22(20,21)12-14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,17,19)/t15-/m0/s1
InChIKeyANVCRLUHXNLHBO-HNNXBMFYSA-N
MW324.45 g/mol
LogP1.90
Rot. Bonds5

About (2S)-1-benzylsulfonyl-N-propan-2-ylpiperidine-2-carboxamide

(2S)-1-benzylsulfonyl-N-propan-2-ylpiperidine-2-carboxamide (PubChem CID 134156211) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (2S)-1-benzylsulfonyl-N-propan-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-benzylsulfonyl-N-propan-2-ylpiperidine-2-carboxamide
PubChem CID134156211
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(2S)-1-benzylsulfonyl-N-propan-2-ylpiperidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H24N2O3S/c1-13(2)17-16(19)15-10-6-7-11-18(15)22(20,21)12-14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,17,19)/t15-/m0/s1
InChIKeyANVCRLUHXNLHBO-HNNXBMFYSA-N
XLogP1.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzylsulfonyl-N-propan-2-ylpiperidine-2-carboxamide?
The IUPAC name of (2S)-1-benzylsulfonyl-N-propan-2-ylpiperidine-2-carboxamide (CID 134156211) is (2S)-1-benzylsulfonyl-N-propan-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-benzylsulfonyl-N-propan-2-ylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-1-benzylsulfonyl-N-propan-2-ylpiperidine-2-carboxamide is CC(C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1.
What is the InChIKey of (2S)-1-benzylsulfonyl-N-propan-2-ylpiperidine-2-carboxamide?
The InChIKey is ANVCRLUHXNLHBO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13(2)17-16(19)15-10-6-7-11-18(15)22(20,21)12-14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,17,19)/t15-/m0/s1.
What are the key properties of (2S)-1-benzylsulfonyl-N-propan-2-ylpiperidine-2-carboxamide?
(2S)-1-benzylsulfonyl-N-propan-2-ylpiperidine-2-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzylsulfonyl-N-propan-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 134156211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).