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

C9H21N3O2S — CID 114803674

IUPAC2-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine
SMILESCCC(CC)(CN)NS(=O)(=O)NC1CC1
InChIInChI=1S/C9H21N3O2S/c1-3-9(4-2,7-10)12-15(13,14)11-8-5-6-8/h8,11-12H,3-7,10H2,1-2H3
InChIKeyHIYREJILJHXPPD-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.09
Rot. Bonds7

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

2-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine (PubChem CID 114803674) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine
PubChem CID114803674
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name2-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine
SMILESCCC(CC)(CN)NS(=O)(=O)NC1CC1
InChIInChI=1S/C9H21N3O2S/c1-3-9(4-2,7-10)12-15(13,14)11-8-5-6-8/h8,11-12H,3-7,10H2,1-2H3
InChIKeyHIYREJILJHXPPD-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

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Related Compounds

3-Amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane
CID 91659860
3-(Aminomethyl)-3-(dimethylsulfamoylamino)pentane
CID 61123565
3-(Aminomethyl)-3-(diethylsulfamoylamino)pentane
CID 61124579
1-Amino-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 61455408
3-(Aminomethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane
CID 61455984
[1-Amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclopropane
CID 63765653
3-(Aminomethyl)-3-[[butyl(methyl)sulfamoyl]amino]pentane
CID 63888194
[2-Amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclopropane
CID 64421541
[2-Amino-1-[[ethyl(methyl)sulfamoyl]amino]ethyl]cyclopropane
CID 91659854
3-Amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane;hydrochloride
CID 91659859
[(1R)-2-amino-1-[[ethyl(methyl)sulfamoyl]amino]ethyl]cyclopropane
CID 99850294
[(1S)-2-amino-1-[[ethyl(methyl)sulfamoyl]amino]ethyl]cyclopropane
CID 99850295

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine (CID 114803674) is 2-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine is CCC(CC)(CN)NS(=O)(=O)NC1CC1.
What is the InChIKey of 2-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine?
The InChIKey is HIYREJILJHXPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-3-9(4-2,7-10)12-15(13,14)11-8-5-6-8/h8,11-12H,3-7,10H2,1-2H3.
What are the key properties of 2-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine?
2-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 2-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine is sourced from PubChem (CID 114803674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).