2-(cyclopropylsulfamoylamino)-2-methylpropanenitrile

C7H13N3O2S — CID 114807664

IUPAC2-(cyclopropylsulfamoylamino)-2-methylpropanenitrile
SMILESCC(C)(C#N)NS(=O)(=O)NC1CC1
InChIInChI=1S/C7H13N3O2S/c1-7(2,5-8)10-13(11,12)9-6-3-4-6/h6,9-10H,3-4H2,1-2H3
InChIKeyIJOTXQMQDYBSJJ-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.13
Rot. Bonds4

About 2-(cyclopropylsulfamoylamino)-2-methylpropanenitrile

2-(cyclopropylsulfamoylamino)-2-methylpropanenitrile (PubChem CID 114807664) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)-2-methylpropanenitrile
PubChem CID114807664
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name2-(cyclopropylsulfamoylamino)-2-methylpropanenitrile
SMILESCC(C)(C#N)NS(=O)(=O)NC1CC1
InChIInChI=1S/C7H13N3O2S/c1-7(2,5-8)10-13(11,12)9-6-3-4-6/h6,9-10H,3-4H2,1-2H3
InChIKeyIJOTXQMQDYBSJJ-UHFFFAOYSA-N
XLogP-0.13
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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)-2-methylpropanenitrile?
The IUPAC name of 2-(cyclopropylsulfamoylamino)-2-methylpropanenitrile (CID 114807664) is 2-(cyclopropylsulfamoylamino)-2-methylpropanenitrile.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)-2-methylpropanenitrile?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)-2-methylpropanenitrile is CC(C)(C#N)NS(=O)(=O)NC1CC1.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)-2-methylpropanenitrile?
The InChIKey is IJOTXQMQDYBSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-7(2,5-8)10-13(11,12)9-6-3-4-6/h6,9-10H,3-4H2,1-2H3.
What are the key properties of 2-(cyclopropylsulfamoylamino)-2-methylpropanenitrile?
2-(cyclopropylsulfamoylamino)-2-methylpropanenitrile has a molecular weight of 203.27 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)-2-methylpropanenitrile is sourced from PubChem (CID 114807664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).