3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane

C9H23N3O2S — CID 63251281

IUPAC3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
SMILESCCCCN(C)S(=O)(=O)NCCC(C)N
InChIInChI=1S/C9H23N3O2S/c1-4-5-8-12(3)15(13,14)11-7-6-9(2)10/h9,11H,4-8,10H2,1-3H3
InChIKeyGZVKBAVMLREVOD-UHFFFAOYSA-N
MW237.37 g/mol
LogP0.29
Rot. Bonds8

About 3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane

3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane (PubChem CID 63251281) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is 3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane.

Molecular Properties

Compound Name3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
PubChem CID63251281
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
SMILESCCCCN(C)S(=O)(=O)NCCC(C)N
InChIInChI=1S/C9H23N3O2S/c1-4-5-8-12(3)15(13,14)11-7-6-9(2)10/h9,11H,4-8,10H2,1-3H3
InChIKeyGZVKBAVMLREVOD-UHFFFAOYSA-N
XLogP0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[[ethyl(methyl)sulfamoyl]amino]butane
CID 119972420
1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane
CID 64912910
2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
CID 63730547
N-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide
CID 51078399
4-[[butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361166
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 106058175
4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 114137543
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119
1-[[[(3S)-3-aminobutyl]sulfamoyl-methylamino]methyl]-4-chlorobenzene
CID 100655569
2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide
CID 119972472
1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methylpropane
CID 65113164
2-[[3-aminopropyl(methyl)sulfamoyl]amino]hexane
CID 62200403

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane?
The IUPAC name of 3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane (CID 63251281) is 3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane.
What is the SMILES notation for 3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane?
The canonical SMILES for 3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane is CCCCN(C)S(=O)(=O)NCCC(C)N.
What is the InChIKey of 3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane?
The InChIKey is GZVKBAVMLREVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-4-5-8-12(3)15(13,14)11-7-6-9(2)10/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane?
3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane has a molecular weight of 237.37 g/mol, XLogP of 0.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane is sourced from PubChem (CID 63251281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).