4-(cyclopropylsulfamoylamino)butanenitrile

C7H13N3O2S — CID 114389435

IUPAC4-(cyclopropylsulfamoylamino)butanenitrile
SMILESN#CCCCNS(=O)(=O)NC1CC1
InChIInChI=1S/C7H13N3O2S/c8-5-1-2-6-9-13(11,12)10-7-3-4-7/h7,9-10H,1-4,6H2
InChIKeyMSSFIGXMUWHXCW-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.12
Rot. Bonds6

About 4-(cyclopropylsulfamoylamino)butanenitrile

4-(cyclopropylsulfamoylamino)butanenitrile (PubChem CID 114389435) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoylamino)butanenitrile.

Molecular Properties

Compound Name4-(cyclopropylsulfamoylamino)butanenitrile
PubChem CID114389435
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name4-(cyclopropylsulfamoylamino)butanenitrile
SMILESN#CCCCNS(=O)(=O)NC1CC1
InChIInChI=1S/C7H13N3O2S/c8-5-1-2-6-9-13(11,12)10-7-3-4-7/h7,9-10H,1-4,6H2
InChIKeyMSSFIGXMUWHXCW-UHFFFAOYSA-N
XLogP-0.12
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.12
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

3-(Cyclopropylsulfamoylamino)propanenitrile
CID 114807837
4-(Propan-2-ylsulfamoylamino)butanenitrile
CID 104462757
4-(Ethylsulfamoylamino)butanenitrile
CID 104462758
3-(Cyclopropylsulfamoylamino)-2-methylpropanenitrile
CID 104538457
3-(Ethylsulfamoylamino)pentanenitrile
CID 104694090
1-Cyano-2-(sulfamoylamino)butane
CID 112573594
1-Cyano-3-(sulfamoylamino)propane
CID 112573769
1-Cyano-2-(sulfamoylamino)propane
CID 112688343
3-(Cyclopropylsulfamoylamino)butanenitrile
CID 114383114
5-(Cyclopropylsulfamoylamino)pentanenitrile
CID 114383199
3-(Cyclopropylsulfamoylamino)pentanenitrile
CID 114389639
N'-(cyclopropylsulfamoyl)butane-1,4-diamine
CID 114803959

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoylamino)butanenitrile?
The IUPAC name of 4-(cyclopropylsulfamoylamino)butanenitrile (CID 114389435) is 4-(cyclopropylsulfamoylamino)butanenitrile.
What is the SMILES notation for 4-(cyclopropylsulfamoylamino)butanenitrile?
The canonical SMILES for 4-(cyclopropylsulfamoylamino)butanenitrile is N#CCCCNS(=O)(=O)NC1CC1.
What is the InChIKey of 4-(cyclopropylsulfamoylamino)butanenitrile?
The InChIKey is MSSFIGXMUWHXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c8-5-1-2-6-9-13(11,12)10-7-3-4-7/h7,9-10H,1-4,6H2.
What are the key properties of 4-(cyclopropylsulfamoylamino)butanenitrile?
4-(cyclopropylsulfamoylamino)butanenitrile has a molecular weight of 203.27 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoylamino)butanenitrile is sourced from PubChem (CID 114389435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).