(2S)-N-[2-[(S)-benzylsulfinyl]ethyl]-2-methylpiperidine-1-sulfonamide

C15H24N2O3S2 — CID 95322188

IUPAC(2S)-N-[2-[(S)-benzylsulfinyl]ethyl]-2-methylpiperidine-1-sulfonamide
SMILESC[C@H]1CCCCN1S(=O)(=O)NCC[S@@](=O)Cc1ccccc1
InChIInChI=1S/C15H24N2O3S2/c1-14-7-5-6-11-17(14)22(19,20)16-10-12-21(18)13-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13H2,1H3/t14-,21+/m0/s1
InChIKeyVXLSYUMSKAHCHW-LHSJRXKWSA-N
MW344.50 g/mol
LogP1.64
Rot. Bonds7

About (2S)-N-[2-[(S)-benzylsulfinyl]ethyl]-2-methylpiperidine-1-sulfonamide

(2S)-N-[2-[(S)-benzylsulfinyl]ethyl]-2-methylpiperidine-1-sulfonamide (PubChem CID 95322188) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (2S)-N-[2-[(S)-benzylsulfinyl]ethyl]-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-[2-[(S)-benzylsulfinyl]ethyl]-2-methylpiperidine-1-sulfonamide
PubChem CID95322188
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC Name(2S)-N-[2-[(S)-benzylsulfinyl]ethyl]-2-methylpiperidine-1-sulfonamide
SMILESC[C@H]1CCCCN1S(=O)(=O)NCC[S@@](=O)Cc1ccccc1
InChIInChI=1S/C15H24N2O3S2/c1-14-7-5-6-11-17(14)22(19,20)16-10-12-21(18)13-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13H2,1H3/t14-,21+/m0/s1
InChIKeyVXLSYUMSKAHCHW-LHSJRXKWSA-N
XLogP1.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(S)-benzylsulfinyl]ethyl]-2-methylpiperidine-1-sulfonamide?
The IUPAC name of (2S)-N-[2-[(S)-benzylsulfinyl]ethyl]-2-methylpiperidine-1-sulfonamide (CID 95322188) is (2S)-N-[2-[(S)-benzylsulfinyl]ethyl]-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for (2S)-N-[2-[(S)-benzylsulfinyl]ethyl]-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for (2S)-N-[2-[(S)-benzylsulfinyl]ethyl]-2-methylpiperidine-1-sulfonamide is C[C@H]1CCCCN1S(=O)(=O)NCC[S@@](=O)Cc1ccccc1.
What is the InChIKey of (2S)-N-[2-[(S)-benzylsulfinyl]ethyl]-2-methylpiperidine-1-sulfonamide?
The InChIKey is VXLSYUMSKAHCHW-LHSJRXKWSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-14-7-5-6-11-17(14)22(19,20)16-10-12-21(18)13-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13H2,1H3/t14-,21+/m0/s1.
What are the key properties of (2S)-N-[2-[(S)-benzylsulfinyl]ethyl]-2-methylpiperidine-1-sulfonamide?
(2S)-N-[2-[(S)-benzylsulfinyl]ethyl]-2-methylpiperidine-1-sulfonamide has a molecular weight of 344.50 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(S)-benzylsulfinyl]ethyl]-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 95322188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).