2-[[2-cyanoethyl(methyl)sulfamoyl]amino]butane

C8H17N3O2S — CID 47164658

IUPAC2-[[2-cyanoethyl(methyl)sulfamoyl]amino]butane
SMILESCCC(C)NS(=O)(=O)N(C)CCC#N
InChIInChI=1S/C8H17N3O2S/c1-4-8(2)10-14(12,13)11(3)7-5-6-9/h8,10H,4-5,7H2,1-3H3
InChIKeyLVBVUCZVQSRVBE-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.46
Rot. Bonds6

About 2-[[2-cyanoethyl(methyl)sulfamoyl]amino]butane

2-[[2-cyanoethyl(methyl)sulfamoyl]amino]butane (PubChem CID 47164658) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-[[2-cyanoethyl(methyl)sulfamoyl]amino]butane.

Molecular Properties

Compound Name2-[[2-cyanoethyl(methyl)sulfamoyl]amino]butane
PubChem CID47164658
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name2-[[2-cyanoethyl(methyl)sulfamoyl]amino]butane
SMILESCCC(C)NS(=O)(=O)N(C)CCC#N
InChIInChI=1S/C8H17N3O2S/c1-4-8(2)10-14(12,13)11(3)7-5-6-9/h8,10H,4-5,7H2,1-3H3
InChIKeyLVBVUCZVQSRVBE-UHFFFAOYSA-N
XLogP0.46
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethyl{[(methylpropyl)amino]sulfonyl}amine
CID 4285151
2-[[Methyl(propan-2-yl)sulfamoyl]amino]propane
CID 22591038
2-[Di(propan-2-yl)sulfamoylamino]propane
CID 23598036
2-[[Ethyl(methyl)sulfamoyl]amino]propane
CID 131225975
(2R)-2-(dimethylsulfamoylamino)butane
CID 7026941
(2S)-2-(dimethylsulfamoylamino)butane
CID 7026942
[[2-Cyanoethyl(methyl)sulfamoyl]amino]cyclohexane
CID 35326787
1-[[2-Cyanoethyl(methyl)sulfamoyl]amino]-2-methylpropane
CID 35431036
N'-(dimethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43136956
N'-(diethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43136964
[[2-Cyanoethyl(methyl)sulfamoyl]amino]cyclopentane
CID 47164686
2-(Diethylsulfamoylamino)butane
CID 60712843

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyanoethyl(methyl)sulfamoyl]amino]butane?
The IUPAC name of 2-[[2-cyanoethyl(methyl)sulfamoyl]amino]butane (CID 47164658) is 2-[[2-cyanoethyl(methyl)sulfamoyl]amino]butane.
What is the SMILES notation for 2-[[2-cyanoethyl(methyl)sulfamoyl]amino]butane?
The canonical SMILES for 2-[[2-cyanoethyl(methyl)sulfamoyl]amino]butane is CCC(C)NS(=O)(=O)N(C)CCC#N.
What is the InChIKey of 2-[[2-cyanoethyl(methyl)sulfamoyl]amino]butane?
The InChIKey is LVBVUCZVQSRVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-4-8(2)10-14(12,13)11(3)7-5-6-9/h8,10H,4-5,7H2,1-3H3.
What are the key properties of 2-[[2-cyanoethyl(methyl)sulfamoyl]amino]butane?
2-[[2-cyanoethyl(methyl)sulfamoyl]amino]butane has a molecular weight of 219.31 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyanoethyl(methyl)sulfamoyl]amino]butane is sourced from PubChem (CID 47164658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).