N-(cyclopropylsulfamoyl)-2,2-dimethylbutane-1,4-diamine

C9H21N3O2S — CID 106141491

IUPACN-(cyclopropylsulfamoyl)-2,2-dimethylbutane-1,4-diamine
SMILESCC(C)(CCN)CNS(=O)(=O)NC1CC1
InChIInChI=1S/C9H21N3O2S/c1-9(2,5-6-10)7-11-15(13,14)12-8-3-4-8/h8,11-12H,3-7,10H2,1-2H3
InChIKeyADSNOEOJZXQXFN-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.05
Rot. Bonds7

About N-(cyclopropylsulfamoyl)-2,2-dimethylbutane-1,4-diamine

N-(cyclopropylsulfamoyl)-2,2-dimethylbutane-1,4-diamine (PubChem CID 106141491) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(cyclopropylsulfamoyl)-2,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(cyclopropylsulfamoyl)-2,2-dimethylbutane-1,4-diamine
PubChem CID106141491
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN-(cyclopropylsulfamoyl)-2,2-dimethylbutane-1,4-diamine
SMILESCC(C)(CCN)CNS(=O)(=O)NC1CC1
InChIInChI=1S/C9H21N3O2S/c1-9(2,5-6-10)7-11-15(13,14)12-8-3-4-8/h8,11-12H,3-7,10H2,1-2H3
InChIKeyADSNOEOJZXQXFN-UHFFFAOYSA-N
XLogP-0.05
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 ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine
CID 22966184
3,3-Dimethyl-1-(sulfamoylamino)butane
CID 57664623
(2S)-1-N-[cyclopropyl(methyl)sulfamoyl]-1-N,2-N,3,3-tetramethylbutane-1,2-diamine
CID 70870757
[[(2S)-3,3-dimethyl-2-(methylamino)butyl]sulfamoyl-methylamino]cyclopropane
CID 70891119
2-Amino-1-(dimethylsulfamoylamino)-3,3-dimethylbutane
CID 89148987
2,2-dimethyl-N-(2-methylbutan-2-ylsulfamoyl)butan-1-amine
CID 123410974
methane;3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine
CID 160582271
N-(2,2-Dimethylpropyl)-N'-propan-2-ylsulfuric diamide
CID 57355566
2-[[3-Aminopropyl(methyl)sulfamoyl]amino]-1,1-dimethylcyclopropane
CID 61895086
1,1-Dimethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclopropane
CID 65789373
n-(Butylsulfamoyl)cyclopropanamine
CID 83381244
2,2,5-Trimethyl-3-(sulfamoylamino)hexane
CID 84584411

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylsulfamoyl)-2,2-dimethylbutane-1,4-diamine?
The IUPAC name of N-(cyclopropylsulfamoyl)-2,2-dimethylbutane-1,4-diamine (CID 106141491) is N-(cyclopropylsulfamoyl)-2,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-(cyclopropylsulfamoyl)-2,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N-(cyclopropylsulfamoyl)-2,2-dimethylbutane-1,4-diamine is CC(C)(CCN)CNS(=O)(=O)NC1CC1.
What is the InChIKey of N-(cyclopropylsulfamoyl)-2,2-dimethylbutane-1,4-diamine?
The InChIKey is ADSNOEOJZXQXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-9(2,5-6-10)7-11-15(13,14)12-8-3-4-8/h8,11-12H,3-7,10H2,1-2H3.
What are the key properties of N-(cyclopropylsulfamoyl)-2,2-dimethylbutane-1,4-diamine?
N-(cyclopropylsulfamoyl)-2,2-dimethylbutane-1,4-diamine has a molecular weight of 235.35 g/mol, XLogP of -0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylsulfamoyl)-2,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 106141491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).