N-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide

C11H26N2O2S — CID 103829022

IUPACN-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)C(N)CNS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H26N2O2S/c1-9(2)10(12)8-13-16(14,15)7-6-11(3,4)5/h9-10,13H,6-8,12H2,1-5H3
InChIKeyIXBAEVFIFGHGPU-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.33
Rot. Bonds6

About N-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide

N-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103829022) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103829022
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)C(N)CNS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H26N2O2S/c1-9(2)10(12)8-13-16(14,15)7-6-11(3,4)5/h9-10,13H,6-8,12H2,1-5H3
InChIKeyIXBAEVFIFGHGPU-UHFFFAOYSA-N
XLogP1.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide
CID 106286721
N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide
CID 100655614
1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine
CID 114810886
N-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide
CID 113240024
N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide
CID 99850241
2-(3,3-dimethylbutylsulfonylamino)acetamide
CID 103521045
N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide
CID 103828845
N-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide
CID 106141530
N-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide
CID 106135546
N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520785
tert-butyl (2R)-2-(3,3-dimethylbutylsulfonylamino)-3-methylbutanoate
CID 103773483
N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide
CID 71848189

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide (CID 103829022) is N-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide is CC(C)C(N)CNS(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is IXBAEVFIFGHGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-9(2)10(12)8-13-16(14,15)7-6-11(3,4)5/h9-10,13H,6-8,12H2,1-5H3.
What are the key properties of N-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide?
N-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 250.41 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103829022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).