1-amino-2-[methyl(sulfamoyl)amino]butane

C5H15N3O2S — CID 131223214

IUPAC1-amino-2-[methyl(sulfamoyl)amino]butane
SMILESCCC(CN)N(C)S(N)(=O)=O
InChIInChI=1S/C5H15N3O2S/c1-3-5(4-6)8(2)11(7,9)10/h5H,3-4,6H2,1-2H3,(H2,7,9,10)
InChIKeyXYRQPOWPBUGUFY-UHFFFAOYSA-N
MW181.26 g/mol
LogP-1.14
Rot. Bonds4

About 1-amino-2-[methyl(sulfamoyl)amino]butane

1-amino-2-[methyl(sulfamoyl)amino]butane (PubChem CID 131223214) has the molecular formula C5H15N3O2S and a molecular weight of 181.26 g/mol. Its IUPAC name is 1-amino-2-[methyl(sulfamoyl)amino]butane.

Molecular Properties

Compound Name1-amino-2-[methyl(sulfamoyl)amino]butane
PubChem CID131223214
Molecular FormulaC5H15N3O2S
Molecular Weight181.26 g/mol
Exact Mass181.09
IUPAC Name1-amino-2-[methyl(sulfamoyl)amino]butane
SMILESCCC(CN)N(C)S(N)(=O)=O
InChIInChI=1S/C5H15N3O2S/c1-3-5(4-6)8(2)11(7,9)10/h5H,3-4,6H2,1-2H3,(H2,7,9,10)
InChIKeyXYRQPOWPBUGUFY-UHFFFAOYSA-N
XLogP-1.14
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-2-[methyl(sulfamoyl)amino]butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,2-N-dimethylbutane-1,2-diamine;dihydrochloride
CID 43810640
N'-methyl-N'-pentan-3-ylmethanediamine
CID 58780835
1-(1-aminobutan-2-yl)-1-methylurea
CID 82502509
[2-[methyl(sulfamoyl)amino]-3-phenylpropyl]benzene
CID 155181880
2-N-hexan-3-yl-2-N-methylbutane-1,2-diamine
CID 155282396
N-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide
CID 146435596
2-N-(cyclopentylmethyl)-2-N-methylbutane-1,2-diamine
CID 63632440
N-(1-aminobutan-2-yl)-N-methylprop-2-ynamide
CID 82502636
5-[1-aminobutan-2-yl(methyl)amino]pentan-1-ol
CID 107198475
2-N-(cyclohexylmethyl)-2-N-methylbutane-1,2-diamine
CID 61444608
2,2-dimethyl-3-[methyl(sulfamoyl)amino]butane
CID 60745460
2-N-ethyl-4,4-dimethoxy-2-N-methylbutane-1,2-diamine
CID 66268420

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[methyl(sulfamoyl)amino]butane?
The IUPAC name of 1-amino-2-[methyl(sulfamoyl)amino]butane (CID 131223214) is 1-amino-2-[methyl(sulfamoyl)amino]butane.
What is the SMILES notation for 1-amino-2-[methyl(sulfamoyl)amino]butane?
The canonical SMILES for 1-amino-2-[methyl(sulfamoyl)amino]butane is CCC(CN)N(C)S(N)(=O)=O.
What is the InChIKey of 1-amino-2-[methyl(sulfamoyl)amino]butane?
The InChIKey is XYRQPOWPBUGUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3O2S/c1-3-5(4-6)8(2)11(7,9)10/h5H,3-4,6H2,1-2H3,(H2,7,9,10).
What are the key properties of 1-amino-2-[methyl(sulfamoyl)amino]butane?
1-amino-2-[methyl(sulfamoyl)amino]butane has a molecular weight of 181.26 g/mol, XLogP of -1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[methyl(sulfamoyl)amino]butane is sourced from PubChem (CID 131223214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).