(2S)-2-amino-N-tert-butyl-3-methylbutane-1-sulfonamide

C9H22N2O2S — CID 88885637

IUPAC(2S)-2-amino-N-tert-butyl-3-methylbutane-1-sulfonamide
SMILESCC(C)[C@H](N)CS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H22N2O2S/c1-7(2)8(10)6-14(12,13)11-9(3,4)5/h7-8,11H,6,10H2,1-5H3/t8-/m1/s1
InChIKeyVPEBRWADDTWLNU-MRVPVSSYSA-N
MW222.35 g/mol
LogP0.69
Rot. Bonds4

About (2S)-2-amino-N-tert-butyl-3-methylbutane-1-sulfonamide

(2S)-2-amino-N-tert-butyl-3-methylbutane-1-sulfonamide (PubChem CID 88885637) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is (2S)-2-amino-N-tert-butyl-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-2-amino-N-tert-butyl-3-methylbutane-1-sulfonamide
PubChem CID88885637
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC Name(2S)-2-amino-N-tert-butyl-3-methylbutane-1-sulfonamide
SMILESCC(C)[C@H](N)CS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H22N2O2S/c1-7(2)8(10)6-14(12,13)11-9(3,4)5/h7-8,11H,6,10H2,1-5H3/t8-/m1/s1
InChIKeyVPEBRWADDTWLNU-MRVPVSSYSA-N
XLogP0.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-tert-butyl-3-methylbutane-1-sulfonamide?
The IUPAC name of (2S)-2-amino-N-tert-butyl-3-methylbutane-1-sulfonamide (CID 88885637) is (2S)-2-amino-N-tert-butyl-3-methylbutane-1-sulfonamide.
What is the SMILES notation for (2S)-2-amino-N-tert-butyl-3-methylbutane-1-sulfonamide?
The canonical SMILES for (2S)-2-amino-N-tert-butyl-3-methylbutane-1-sulfonamide is CC(C)[C@H](N)CS(=O)(=O)NC(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-tert-butyl-3-methylbutane-1-sulfonamide?
The InChIKey is VPEBRWADDTWLNU-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-7(2)8(10)6-14(12,13)11-9(3,4)5/h7-8,11H,6,10H2,1-5H3/t8-/m1/s1.
What are the key properties of (2S)-2-amino-N-tert-butyl-3-methylbutane-1-sulfonamide?
(2S)-2-amino-N-tert-butyl-3-methylbutane-1-sulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-tert-butyl-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 88885637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).