3-(cyclopropylsulfamoylamino)propanenitrile

C6H11N3O2S — CID 114807837

IUPAC3-(cyclopropylsulfamoylamino)propanenitrile
SMILESN#CCCNS(=O)(=O)NC1CC1
InChIInChI=1S/C6H11N3O2S/c7-4-1-5-8-12(10,11)9-6-2-3-6/h6,8-9H,1-3,5H2
InChIKeyDAZRPKDEJLGRSA-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.51
Rot. Bonds5

About 3-(cyclopropylsulfamoylamino)propanenitrile

3-(cyclopropylsulfamoylamino)propanenitrile (PubChem CID 114807837) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoylamino)propanenitrile.

Molecular Properties

Compound Name3-(cyclopropylsulfamoylamino)propanenitrile
PubChem CID114807837
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name3-(cyclopropylsulfamoylamino)propanenitrile
SMILESN#CCCNS(=O)(=O)NC1CC1
InChIInChI=1S/C6H11N3O2S/c7-4-1-5-8-12(10,11)9-6-2-3-6/h6,8-9H,1-3,5H2
InChIKeyDAZRPKDEJLGRSA-UHFFFAOYSA-N
XLogP-0.51
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropylaminosulfonamide
CID 21041394
(Cyclopropylsulfamoyl)(methyl)amine
CID 70271030
N-(propan-2-ylsulfamoyl)cyclopropanamine
CID 57981830
N-(ethylsulfamoyl)cyclopropanamine
CID 68251613
1-Cyano-1-(dimethylsulfamoylamino)ethane
CID 61123241
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethane
CID 61453748
1-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethane
CID 62653489
N-(propylsulfamoyl)cyclopropanamine
CID 84282182
(1R)-1-cyano-1-(dimethylsulfamoylamino)ethane
CID 93594408
4-(Propan-2-ylsulfamoylamino)butanenitrile
CID 104462757
3-(Cyclopropylsulfamoylamino)-2-methylpropanenitrile
CID 104538457
3-(Ethylsulfamoylamino)pentanenitrile
CID 104694090

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoylamino)propanenitrile?
The IUPAC name of 3-(cyclopropylsulfamoylamino)propanenitrile (CID 114807837) is 3-(cyclopropylsulfamoylamino)propanenitrile.
What is the SMILES notation for 3-(cyclopropylsulfamoylamino)propanenitrile?
The canonical SMILES for 3-(cyclopropylsulfamoylamino)propanenitrile is N#CCCNS(=O)(=O)NC1CC1.
What is the InChIKey of 3-(cyclopropylsulfamoylamino)propanenitrile?
The InChIKey is DAZRPKDEJLGRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c7-4-1-5-8-12(10,11)9-6-2-3-6/h6,8-9H,1-3,5H2.
What are the key properties of 3-(cyclopropylsulfamoylamino)propanenitrile?
3-(cyclopropylsulfamoylamino)propanenitrile has a molecular weight of 189.24 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoylamino)propanenitrile is sourced from PubChem (CID 114807837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).