2-ethyl-2-N-(propylsulfamoyl)butane-1,2-diamine

C9H23N3O2S — CID 114803671

IUPAC2-ethyl-2-N-(propylsulfamoyl)butane-1,2-diamine
SMILESCCCNS(=O)(=O)NC(CC)(CC)CN
InChIInChI=1S/C9H23N3O2S/c1-4-7-11-15(13,14)12-9(5-2,6-3)8-10/h11-12H,4-8,10H2,1-3H3
InChIKeyKLQNQDDQYXDGRH-UHFFFAOYSA-N
MW237.37 g/mol
LogP0.34
Rot. Bonds8

About 2-ethyl-2-N-(propylsulfamoyl)butane-1,2-diamine

2-ethyl-2-N-(propylsulfamoyl)butane-1,2-diamine (PubChem CID 114803671) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-ethyl-2-N-(propylsulfamoyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-(propylsulfamoyl)butane-1,2-diamine
PubChem CID114803671
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name2-ethyl-2-N-(propylsulfamoyl)butane-1,2-diamine
SMILESCCCNS(=O)(=O)NC(CC)(CC)CN
InChIInChI=1S/C9H23N3O2S/c1-4-7-11-15(13,14)12-9(5-2,6-3)8-10/h11-12H,4-8,10H2,1-3H3
InChIKeyKLQNQDDQYXDGRH-UHFFFAOYSA-N
XLogP0.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine
CID 114804144
3-methyl-3-(propylsulfamoylamino)pentan-1-ol
CID 106169596
2,2-dimethyl-N-(propylsulfamoyl)butane-1,4-diamine
CID 106141642
N-[3-(aminomethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide
CID 63290201
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 61124942
N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride
CID 119981214
N'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine
CID 106251175
3-(aminomethyl)pentan-3-ylurea
CID 63766558
2-ethyl-N-(propylsulfamoyl)butane-1,4-diamine
CID 114812909
ethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]propanoate
CID 63888007
N-[3-(aminomethyl)pentan-3-yl]-2,6-dichloro-3-methylbenzenesulfonamide
CID 166232007
ethyl N-(propylsulfamoyl)carbamate
CID 114463072

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-(propylsulfamoyl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-(propylsulfamoyl)butane-1,2-diamine (CID 114803671) is 2-ethyl-2-N-(propylsulfamoyl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-(propylsulfamoyl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-(propylsulfamoyl)butane-1,2-diamine is CCCNS(=O)(=O)NC(CC)(CC)CN.
What is the InChIKey of 2-ethyl-2-N-(propylsulfamoyl)butane-1,2-diamine?
The InChIKey is KLQNQDDQYXDGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-4-7-11-15(13,14)12-9(5-2,6-3)8-10/h11-12H,4-8,10H2,1-3H3.
What are the key properties of 2-ethyl-2-N-(propylsulfamoyl)butane-1,2-diamine?
2-ethyl-2-N-(propylsulfamoyl)butane-1,2-diamine has a molecular weight of 237.37 g/mol, XLogP of 0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-(propylsulfamoyl)butane-1,2-diamine is sourced from PubChem (CID 114803671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).