N-(1-amino-2-methylpropan-2-yl)-3-methylbutane-1-sulfonamide

C9H22N2O2S — CID 63834751

IUPACN-(1-amino-2-methylpropan-2-yl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC(C)(C)CN
InChIInChI=1S/C9H22N2O2S/c1-8(2)5-6-14(12,13)11-9(3,4)7-10/h8,11H,5-7,10H2,1-4H3
InChIKeyPHPZCEXKNARHTL-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.69
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-3-methylbutane-1-sulfonamide

N-(1-amino-2-methylpropan-2-yl)-3-methylbutane-1-sulfonamide (PubChem CID 63834751) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-methylbutane-1-sulfonamide
PubChem CID63834751
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC(C)(C)CN
InChIInChI=1S/C9H22N2O2S/c1-8(2)5-6-14(12,13)11-9(3,4)7-10/h8,11H,5-7,10H2,1-4H3
InChIKeyPHPZCEXKNARHTL-UHFFFAOYSA-N
XLogP0.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-methylbutane-1-sulfonamide
CID 115310693
N-(1-amino-2-methylpropan-2-yl)ethanesulfonamide
CID 61124177
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylbutane-1-sulfonamide
CID 103931309
N-(1-amino-2-phenylpropan-2-yl)-3-methylbutane-1-sulfonamide
CID 105060592
N-(1-amino-2-methylpropan-2-yl)-2-ethoxyethanesulfonamide
CID 63246035
N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide
CID 63194224
N-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide
CID 119975856
N-(2-bromo-4,4-dimethylpentyl)-3-methylbutane-1-sulfonamide
CID 107158135
N-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide
CID 56795208
methyl 2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]propanoate
CID 63194222
N-(1-aminopentan-2-yl)-3-methylbutane-1-sulfonamide
CID 63834752
N-(1-amino-2-methylpropan-2-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
CID 120874886

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-methylbutane-1-sulfonamide (CID 63834751) is N-(1-amino-2-methylpropan-2-yl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)NC(C)(C)CN.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-methylbutane-1-sulfonamide?
The InChIKey is PHPZCEXKNARHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-8(2)5-6-14(12,13)11-9(3,4)7-10/h8,11H,5-7,10H2,1-4H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-methylbutane-1-sulfonamide?
N-(1-amino-2-methylpropan-2-yl)-3-methylbutane-1-sulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 63834751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).