3-(cyclopropylsulfamoylamino)-2-methylpropanenitrile

C7H13N3O2S — CID 104538457

IUPAC3-(cyclopropylsulfamoylamino)-2-methylpropanenitrile
SMILESCC(C#N)CNS(=O)(=O)NC1CC1
InChIInChI=1S/C7H13N3O2S/c1-6(4-8)5-9-13(11,12)10-7-2-3-7/h6-7,9-10H,2-3,5H2,1H3
InChIKeyBJHSQGKUAKBCTI-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.27
Rot. Bonds5

About 3-(cyclopropylsulfamoylamino)-2-methylpropanenitrile

3-(cyclopropylsulfamoylamino)-2-methylpropanenitrile (PubChem CID 104538457) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoylamino)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(cyclopropylsulfamoylamino)-2-methylpropanenitrile
PubChem CID104538457
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name3-(cyclopropylsulfamoylamino)-2-methylpropanenitrile
SMILESCC(C#N)CNS(=O)(=O)NC1CC1
InChIInChI=1S/C7H13N3O2S/c1-6(4-8)5-9-13(11,12)10-7-2-3-7/h6-7,9-10H,2-3,5H2,1H3
InChIKeyBJHSQGKUAKBCTI-UHFFFAOYSA-N
XLogP-0.27
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(Cyclopropylsulfamoyl)(methyl)amine
CID 70271030
N-(propan-2-ylsulfamoyl)cyclopropanamine
CID 57981830
N-(2-methylpropylsulfamoyl)cyclopropanamine
CID 59372563
N-(ethylsulfamoyl)cyclopropanamine
CID 68251613
3-(Cyclopropylsulfamoylamino)propanenitrile
CID 114807837
[Cyano-(dimethylsulfamoylamino)methyl]cyclopropane
CID 64426765
N-(propylsulfamoyl)cyclopropanamine
CID 84282182
2-(Ethylsulfamoylamino)-2-methylpropanenitrile
CID 110605575
2-Methyl-2-(propylsulfamoylamino)propanenitrile
CID 110605576
2-Methyl-2-(propan-2-ylsulfamoylamino)propanenitrile
CID 110605577
1-Cyano-2-(sulfamoylamino)propane
CID 112688343
1-Methyl-2-(sulfamoylamino)cyclopropane
CID 112689078

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoylamino)-2-methylpropanenitrile?
The IUPAC name of 3-(cyclopropylsulfamoylamino)-2-methylpropanenitrile (CID 104538457) is 3-(cyclopropylsulfamoylamino)-2-methylpropanenitrile.
What is the SMILES notation for 3-(cyclopropylsulfamoylamino)-2-methylpropanenitrile?
The canonical SMILES for 3-(cyclopropylsulfamoylamino)-2-methylpropanenitrile is CC(C#N)CNS(=O)(=O)NC1CC1.
What is the InChIKey of 3-(cyclopropylsulfamoylamino)-2-methylpropanenitrile?
The InChIKey is BJHSQGKUAKBCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-6(4-8)5-9-13(11,12)10-7-2-3-7/h6-7,9-10H,2-3,5H2,1H3.
What are the key properties of 3-(cyclopropylsulfamoylamino)-2-methylpropanenitrile?
3-(cyclopropylsulfamoylamino)-2-methylpropanenitrile has a molecular weight of 203.27 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoylamino)-2-methylpropanenitrile is sourced from PubChem (CID 104538457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).