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

C11H26N2O2S — CID 58815074

IUPAC(2S)-2-amino-N-tert-butyl-N,3,3-trimethylbutane-1-sulfonamide
SMILESCN(C(C)(C)C)S(=O)(=O)C[C@@H](N)C(C)(C)C
InChIInChI=1S/C11H26N2O2S/c1-10(2,3)9(12)8-16(14,15)13(7)11(4,5)6/h9H,8,12H2,1-7H3/t9-/m1/s1
InChIKeyNRTHGTAPKSGEBK-SECBINFHSA-N
MW250.41 g/mol
LogP1.42
Rot. Bonds3

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

(2S)-2-amino-N-tert-butyl-N,3,3-trimethylbutane-1-sulfonamide (PubChem CID 58815074) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is (2S)-2-amino-N-tert-butyl-N,3,3-trimethylbutane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-2-amino-N-tert-butyl-N,3,3-trimethylbutane-1-sulfonamide
PubChem CID58815074
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC Name(2S)-2-amino-N-tert-butyl-N,3,3-trimethylbutane-1-sulfonamide
SMILESCN(C(C)(C)C)S(=O)(=O)C[C@@H](N)C(C)(C)C
InChIInChI=1S/C11H26N2O2S/c1-10(2,3)9(12)8-16(14,15)13(7)11(4,5)6/h9H,8,12H2,1-7H3/t9-/m1/s1
InChIKeyNRTHGTAPKSGEBK-SECBINFHSA-N
XLogP1.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-tert-butyl-N,3,3-trimethylbutane-1-sulfonamide?
The IUPAC name of (2S)-2-amino-N-tert-butyl-N,3,3-trimethylbutane-1-sulfonamide (CID 58815074) is (2S)-2-amino-N-tert-butyl-N,3,3-trimethylbutane-1-sulfonamide.
What is the SMILES notation for (2S)-2-amino-N-tert-butyl-N,3,3-trimethylbutane-1-sulfonamide?
The canonical SMILES for (2S)-2-amino-N-tert-butyl-N,3,3-trimethylbutane-1-sulfonamide is CN(C(C)(C)C)S(=O)(=O)C[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-tert-butyl-N,3,3-trimethylbutane-1-sulfonamide?
The InChIKey is NRTHGTAPKSGEBK-SECBINFHSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-10(2,3)9(12)8-16(14,15)13(7)11(4,5)6/h9H,8,12H2,1-7H3/t9-/m1/s1.
What are the key properties of (2S)-2-amino-N-tert-butyl-N,3,3-trimethylbutane-1-sulfonamide?
(2S)-2-amino-N-tert-butyl-N,3,3-trimethylbutane-1-sulfonamide has a molecular weight of 250.41 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-tert-butyl-N,3,3-trimethylbutane-1-sulfonamide is sourced from PubChem (CID 58815074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).