(3S)-1-(3,3-dimethylbutylsulfonyl)piperidine-3-sulfonamide

C11H24N2O4S2 — CID 164631684

IUPAC(3S)-1-(3,3-dimethylbutylsulfonyl)piperidine-3-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)N1CCC[C@H](S(N)(=O)=O)C1
InChIInChI=1S/C11H24N2O4S2/c1-11(2,3)6-8-18(14,15)13-7-4-5-10(9-13)19(12,16)17/h10H,4-9H2,1-3H3,(H2,12,16,17)/t10-/m0/s1
InChIKeyKJQDYBAGMXVPPE-JTQLQIEISA-N
MW312.46 g/mol
LogP0.51
Rot. Bonds4

About (3S)-1-(3,3-dimethylbutylsulfonyl)piperidine-3-sulfonamide

(3S)-1-(3,3-dimethylbutylsulfonyl)piperidine-3-sulfonamide (PubChem CID 164631684) has the molecular formula C11H24N2O4S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is (3S)-1-(3,3-dimethylbutylsulfonyl)piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-1-(3,3-dimethylbutylsulfonyl)piperidine-3-sulfonamide
PubChem CID164631684
Molecular FormulaC11H24N2O4S2
Molecular Weight312.46 g/mol
Exact Mass312.12
IUPAC Name(3S)-1-(3,3-dimethylbutylsulfonyl)piperidine-3-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)N1CCC[C@H](S(N)(=O)=O)C1
InChIInChI=1S/C11H24N2O4S2/c1-11(2,3)6-8-18(14,15)13-7-4-5-10(9-13)19(12,16)17/h10H,4-9H2,1-3H3,(H2,12,16,17)/t10-/m0/s1
InChIKeyKJQDYBAGMXVPPE-JTQLQIEISA-N
XLogP0.51
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,3-dimethylbutylsulfonyl)piperidine-3-sulfonamide?
The IUPAC name of (3S)-1-(3,3-dimethylbutylsulfonyl)piperidine-3-sulfonamide (CID 164631684) is (3S)-1-(3,3-dimethylbutylsulfonyl)piperidine-3-sulfonamide.
What is the SMILES notation for (3S)-1-(3,3-dimethylbutylsulfonyl)piperidine-3-sulfonamide?
The canonical SMILES for (3S)-1-(3,3-dimethylbutylsulfonyl)piperidine-3-sulfonamide is CC(C)(C)CCS(=O)(=O)N1CCC[C@H](S(N)(=O)=O)C1.
What is the InChIKey of (3S)-1-(3,3-dimethylbutylsulfonyl)piperidine-3-sulfonamide?
The InChIKey is KJQDYBAGMXVPPE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N2O4S2/c1-11(2,3)6-8-18(14,15)13-7-4-5-10(9-13)19(12,16)17/h10H,4-9H2,1-3H3,(H2,12,16,17)/t10-/m0/s1.
What are the key properties of (3S)-1-(3,3-dimethylbutylsulfonyl)piperidine-3-sulfonamide?
(3S)-1-(3,3-dimethylbutylsulfonyl)piperidine-3-sulfonamide has a molecular weight of 312.46 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,3-dimethylbutylsulfonyl)piperidine-3-sulfonamide is sourced from PubChem (CID 164631684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).