N-[(2S)-2-amino-3,3-dimethylbutyl]piperidine-1-sulfonamide

C11H25N3O2S — CID 58821706

IUPACN-[(2S)-2-amino-3,3-dimethylbutyl]piperidine-1-sulfonamide
SMILESCC(C)(C)[C@H](N)CNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H25N3O2S/c1-11(2,3)10(12)9-13-17(15,16)14-7-5-4-6-8-14/h10,13H,4-9,12H2,1-3H3/t10-/m1/s1
InChIKeyDTQAOIMOKSPVKQ-SNVBAGLBSA-N
MW263.41 g/mol
LogP0.68
Rot. Bonds4

About N-[(2S)-2-amino-3,3-dimethylbutyl]piperidine-1-sulfonamide

N-[(2S)-2-amino-3,3-dimethylbutyl]piperidine-1-sulfonamide (PubChem CID 58821706) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[(2S)-2-amino-3,3-dimethylbutyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-3,3-dimethylbutyl]piperidine-1-sulfonamide
PubChem CID58821706
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC NameN-[(2S)-2-amino-3,3-dimethylbutyl]piperidine-1-sulfonamide
SMILESCC(C)(C)[C@H](N)CNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H25N3O2S/c1-11(2,3)10(12)9-13-17(15,16)14-7-5-4-6-8-14/h10,13H,4-9,12H2,1-3H3/t10-/m1/s1
InChIKeyDTQAOIMOKSPVKQ-SNVBAGLBSA-N
XLogP0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-3,3-dimethylbutyl]piperidine-1-sulfonamide?
The IUPAC name of N-[(2S)-2-amino-3,3-dimethylbutyl]piperidine-1-sulfonamide (CID 58821706) is N-[(2S)-2-amino-3,3-dimethylbutyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[(2S)-2-amino-3,3-dimethylbutyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[(2S)-2-amino-3,3-dimethylbutyl]piperidine-1-sulfonamide is CC(C)(C)[C@H](N)CNS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[(2S)-2-amino-3,3-dimethylbutyl]piperidine-1-sulfonamide?
The InChIKey is DTQAOIMOKSPVKQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-11(2,3)10(12)9-13-17(15,16)14-7-5-4-6-8-14/h10,13H,4-9,12H2,1-3H3/t10-/m1/s1.
What are the key properties of N-[(2S)-2-amino-3,3-dimethylbutyl]piperidine-1-sulfonamide?
N-[(2S)-2-amino-3,3-dimethylbutyl]piperidine-1-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-3,3-dimethylbutyl]piperidine-1-sulfonamide is sourced from PubChem (CID 58821706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).