1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine

C9H21N3O2S — CID 114811238

IUPAC1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine
SMILESCCC(N)(CC)CNS(=O)(=O)NC1CC1
InChIInChI=1S/C9H21N3O2S/c1-3-9(10,4-2)7-11-15(13,14)12-8-5-6-8/h8,11-12H,3-7,10H2,1-2H3
InChIKeyAMCBXJJWHFCYAD-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.09
Rot. Bonds7

About 1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine

1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine (PubChem CID 114811238) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine
PubChem CID114811238
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine
SMILESCCC(N)(CC)CNS(=O)(=O)NC1CC1
InChIInChI=1S/C9H21N3O2S/c1-3-9(10,4-2)7-11-15(13,14)12-8-5-6-8/h8,11-12H,3-7,10H2,1-2H3
InChIKeyAMCBXJJWHFCYAD-UHFFFAOYSA-N
XLogP0.09
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine 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

3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanoic acid
CID 114533437
1-(cyclopropylsulfamoylamino)-2,4-dimethylpentan-2-ol
CID 114809675
N-(hydrazinesulfonyl)cyclopropanamine
CID 114807411
(cyclopropylsulfamoylamino)methanol
CID 117126061
1-N-(cyclopropylsulfamoyl)-3-methylbutane-1,2-diamine
CID 114810889
N-(2-amino-2-ethylbutyl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride
CID 119643886
N-(2-amino-2-ethylbutyl)propane-2-sulfonamide
CID 115306044
1-N-(cyclopropylsulfamoyl)-2-N-methylpropane-1,2-diamine
CID 103512559
1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine
CID 114814968
N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide
CID 22772497
N-(2-amino-2-ethylbutyl)-2,2-dimethylpropane-1-sulfonamide
CID 115306037
N-(butan-2-ylsulfamoyl)cyclopropanamine
CID 114383068

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine?
The IUPAC name of 1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine (CID 114811238) is 1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine?
The canonical SMILES for 1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine is CCC(N)(CC)CNS(=O)(=O)NC1CC1.
What is the InChIKey of 1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine?
The InChIKey is AMCBXJJWHFCYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-3-9(10,4-2)7-11-15(13,14)12-8-5-6-8/h8,11-12H,3-7,10H2,1-2H3.
What are the key properties of 1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine?
1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine has a molecular weight of 235.35 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine is sourced from PubChem (CID 114811238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).