1-(methylsulfamoylamino)cyclopentane-1-carbonitrile

C7H13N3O2S — CID 114807691

IUPAC1-(methylsulfamoylamino)cyclopentane-1-carbonitrile
SMILESCNS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C7H13N3O2S/c1-9-13(11,12)10-7(6-8)4-2-3-5-7/h9-10H,2-5H2,1H3
InChIKeyVUYNQZPWFLQVMI-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.12
Rot. Bonds3

About 1-(methylsulfamoylamino)cyclopentane-1-carbonitrile

1-(methylsulfamoylamino)cyclopentane-1-carbonitrile (PubChem CID 114807691) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 1-(methylsulfamoylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(methylsulfamoylamino)cyclopentane-1-carbonitrile
PubChem CID114807691
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name1-(methylsulfamoylamino)cyclopentane-1-carbonitrile
SMILESCNS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C7H13N3O2S/c1-9-13(11,12)10-7(6-8)4-2-3-5-7/h9-10H,2-5H2,1H3
InChIKeyVUYNQZPWFLQVMI-UHFFFAOYSA-N
XLogP-0.12
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 ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyano-1-(methylsulfonamido)cyclopentane
CID 13799783
1-Cyano-1-(dimethylsulfamoylamino)cyclopentane
CID 61125065
1-Methyl-1-(sulfamoylamino)cyclopentane
CID 112686630
1-Cyano-2-(sulfamoylamino)cyclopentane
CID 112696449
1-(Tert-butylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114807686
1-(Propylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114807688
1-(Cyclopropylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114807689
1-(Ethylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114807690
1-(Propan-2-ylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114807692
1-(Methylsulfamoylamino)cyclohexane-1-carbonitrile
CID 114807697
2-Ethyl-2-(methylsulfamoylamino)butanenitrile
CID 114807726
2-(Tert-butylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114807848

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfamoylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(methylsulfamoylamino)cyclopentane-1-carbonitrile (CID 114807691) is 1-(methylsulfamoylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(methylsulfamoylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(methylsulfamoylamino)cyclopentane-1-carbonitrile is CNS(=O)(=O)NC1(C#N)CCCC1.
What is the InChIKey of 1-(methylsulfamoylamino)cyclopentane-1-carbonitrile?
The InChIKey is VUYNQZPWFLQVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-9-13(11,12)10-7(6-8)4-2-3-5-7/h9-10H,2-5H2,1H3.
What are the key properties of 1-(methylsulfamoylamino)cyclopentane-1-carbonitrile?
1-(methylsulfamoylamino)cyclopentane-1-carbonitrile has a molecular weight of 203.27 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfamoylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 114807691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).