2-methylsulfonyl-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

C10H18N2O2S — CID 65045224

IUPAC2-methylsulfonyl-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCC(C)NC1(C#N)CCCC1S(C)(=O)=O
InChIInChI=1S/C10H18N2O2S/c1-8(2)12-10(7-11)6-4-5-9(10)15(3,13)14/h8-9,12H,4-6H2,1-3H3
InChIKeyWNJSCGGAKGLFLG-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.84
Rot. Bonds3

About 2-methylsulfonyl-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

2-methylsulfonyl-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (PubChem CID 65045224) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-methylsulfonyl-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
PubChem CID65045224
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name2-methylsulfonyl-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCC(C)NC1(C#N)CCCC1S(C)(=O)=O
InChIInChI=1S/C10H18N2O2S/c1-8(2)12-10(7-11)6-4-5-9(10)15(3,13)14/h8-9,12H,4-6H2,1-3H3
InChIKeyWNJSCGGAKGLFLG-UHFFFAOYSA-N
XLogP0.84
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-methylsulfonyl-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (CID 65045224) is 2-methylsulfonyl-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-methylsulfonyl-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-methylsulfonyl-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is CC(C)NC1(C#N)CCCC1S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is WNJSCGGAKGLFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-8(2)12-10(7-11)6-4-5-9(10)15(3,13)14/h8-9,12H,4-6H2,1-3H3.
What are the key properties of 2-methylsulfonyl-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
2-methylsulfonyl-1-(propan-2-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 230.33 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 65045224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).