2-(3-methylsulfonylpropylamino)cyclopentane-1-carbonitrile

C10H18N2O2S — CID 62741512

IUPAC2-(3-methylsulfonylpropylamino)cyclopentane-1-carbonitrile
SMILESCS(=O)(=O)CCCNC1CCCC1C#N
InChIInChI=1S/C10H18N2O2S/c1-15(13,14)7-3-6-12-10-5-2-4-9(10)8-11/h9-10,12H,2-7H2,1H3
InChIKeyMVNPBILSMASSJT-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.70
Rot. Bonds5

About 2-(3-methylsulfonylpropylamino)cyclopentane-1-carbonitrile

2-(3-methylsulfonylpropylamino)cyclopentane-1-carbonitrile (PubChem CID 62741512) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-(3-methylsulfonylpropylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(3-methylsulfonylpropylamino)cyclopentane-1-carbonitrile
PubChem CID62741512
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name2-(3-methylsulfonylpropylamino)cyclopentane-1-carbonitrile
SMILESCS(=O)(=O)CCCNC1CCCC1C#N
InChIInChI=1S/C10H18N2O2S/c1-15(13,14)7-3-6-12-10-5-2-4-9(10)8-11/h9-10,12H,2-7H2,1H3
InChIKeyMVNPBILSMASSJT-UHFFFAOYSA-N
XLogP0.70
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylpropylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(3-methylsulfonylpropylamino)cyclopentane-1-carbonitrile (CID 62741512) is 2-(3-methylsulfonylpropylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(3-methylsulfonylpropylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(3-methylsulfonylpropylamino)cyclopentane-1-carbonitrile is CS(=O)(=O)CCCNC1CCCC1C#N.
What is the InChIKey of 2-(3-methylsulfonylpropylamino)cyclopentane-1-carbonitrile?
The InChIKey is MVNPBILSMASSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-15(13,14)7-3-6-12-10-5-2-4-9(10)8-11/h9-10,12H,2-7H2,1H3.
What are the key properties of 2-(3-methylsulfonylpropylamino)cyclopentane-1-carbonitrile?
2-(3-methylsulfonylpropylamino)cyclopentane-1-carbonitrile has a molecular weight of 230.33 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylpropylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 62741512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).