2-(cyclopropylsulfamoylamino)butanenitrile

C7H13N3O2S — CID 114807675

IUPAC2-(cyclopropylsulfamoylamino)butanenitrile
SMILESCCC(C#N)NS(=O)(=O)NC1CC1
InChIInChI=1S/C7H13N3O2S/c1-2-6(5-8)9-13(11,12)10-7-3-4-7/h6-7,9-10H,2-4H2,1H3
InChIKeyZRRBSJYLSWCBKD-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.13
Rot. Bonds5

About 2-(cyclopropylsulfamoylamino)butanenitrile

2-(cyclopropylsulfamoylamino)butanenitrile (PubChem CID 114807675) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)butanenitrile.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)butanenitrile
PubChem CID114807675
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name2-(cyclopropylsulfamoylamino)butanenitrile
SMILESCCC(C#N)NS(=O)(=O)NC1CC1
InChIInChI=1S/C7H13N3O2S/c1-2-6(5-8)9-13(11,12)10-7-3-4-7/h6-7,9-10H,2-4H2,1H3
InChIKeyZRRBSJYLSWCBKD-UHFFFAOYSA-N
XLogP-0.13
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 ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoylamino)butanenitrile?
The IUPAC name of 2-(cyclopropylsulfamoylamino)butanenitrile (CID 114807675) is 2-(cyclopropylsulfamoylamino)butanenitrile.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)butanenitrile?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)butanenitrile is CCC(C#N)NS(=O)(=O)NC1CC1.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)butanenitrile?
The InChIKey is ZRRBSJYLSWCBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-2-6(5-8)9-13(11,12)10-7-3-4-7/h6-7,9-10H,2-4H2,1H3.
What are the key properties of 2-(cyclopropylsulfamoylamino)butanenitrile?
2-(cyclopropylsulfamoylamino)butanenitrile has a molecular weight of 203.27 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)butanenitrile is sourced from PubChem (CID 114807675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).