2-(methylsulfamoylamino)cyclopentane-1-carbonitrile

C7H13N3O2S — CID 114807850

IUPAC2-(methylsulfamoylamino)cyclopentane-1-carbonitrile
SMILESCNS(=O)(=O)NC1CCCC1C#N
InChIInChI=1S/C7H13N3O2S/c1-9-13(11,12)10-7-4-2-3-6(7)5-8/h6-7,9-10H,2-4H2,1H3
InChIKeyQLSLOTWZAHGBMA-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.27
Rot. Bonds3

About 2-(methylsulfamoylamino)cyclopentane-1-carbonitrile

2-(methylsulfamoylamino)cyclopentane-1-carbonitrile (PubChem CID 114807850) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-(methylsulfamoylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(methylsulfamoylamino)cyclopentane-1-carbonitrile
PubChem CID114807850
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name2-(methylsulfamoylamino)cyclopentane-1-carbonitrile
SMILESCNS(=O)(=O)NC1CCCC1C#N
InChIInChI=1S/C7H13N3O2S/c1-9-13(11,12)10-7-4-2-3-6(7)5-8/h6-7,9-10H,2-4H2,1H3
InChIKeyQLSLOTWZAHGBMA-UHFFFAOYSA-N
XLogP-0.27
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfamoylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(methylsulfamoylamino)cyclopentane-1-carbonitrile (CID 114807850) is 2-(methylsulfamoylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(methylsulfamoylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(methylsulfamoylamino)cyclopentane-1-carbonitrile is CNS(=O)(=O)NC1CCCC1C#N.
What is the InChIKey of 2-(methylsulfamoylamino)cyclopentane-1-carbonitrile?
The InChIKey is QLSLOTWZAHGBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-9-13(11,12)10-7-4-2-3-6(7)5-8/h6-7,9-10H,2-4H2,1H3.
What are the key properties of 2-(methylsulfamoylamino)cyclopentane-1-carbonitrile?
2-(methylsulfamoylamino)cyclopentane-1-carbonitrile has a molecular weight of 203.27 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfamoylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 114807850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).