2-methylsulfonyl-1-(oxolan-2-ylmethylamino)cyclopentane-1-carbonitrile

C12H20N2O3S — CID 65045063

IUPAC2-methylsulfonyl-1-(oxolan-2-ylmethylamino)cyclopentane-1-carbonitrile
SMILESCS(=O)(=O)C1CCCC1(C#N)NCC1CCCO1
InChIInChI=1S/C12H20N2O3S/c1-18(15,16)11-5-2-6-12(11,9-13)14-8-10-4-3-7-17-10/h10-11,14H,2-8H2,1H3
InChIKeyHKCPISQOVCCPMH-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.61
Rot. Bonds4

About 2-methylsulfonyl-1-(oxolan-2-ylmethylamino)cyclopentane-1-carbonitrile

2-methylsulfonyl-1-(oxolan-2-ylmethylamino)cyclopentane-1-carbonitrile (PubChem CID 65045063) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(oxolan-2-ylmethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-methylsulfonyl-1-(oxolan-2-ylmethylamino)cyclopentane-1-carbonitrile
PubChem CID65045063
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-methylsulfonyl-1-(oxolan-2-ylmethylamino)cyclopentane-1-carbonitrile
SMILESCS(=O)(=O)C1CCCC1(C#N)NCC1CCCO1
InChIInChI=1S/C12H20N2O3S/c1-18(15,16)11-5-2-6-12(11,9-13)14-8-10-4-3-7-17-10/h10-11,14H,2-8H2,1H3
InChIKeyHKCPISQOVCCPMH-UHFFFAOYSA-N
XLogP0.61
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
CID 65045168
1-(aminomethyl)-2-methylsulfonyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 65377356
2,4,4-trimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile
CID 81321315
5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carbonitrile
CID 54887564
3,3,5,5-tetramethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile
CID 112682397
3-methoxy-1-(oxolan-2-ylmethylamino)cyclobutane-1-carbonitrile
CID 106822418
[(2S)-oxolan-2-yl]methylcyanamide
CID 87337063
1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 80598955
methyl 4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate
CID 61243560
N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55173729
3-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine
CID 107423630
3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid
CID 132594065

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(oxolan-2-ylmethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-methylsulfonyl-1-(oxolan-2-ylmethylamino)cyclopentane-1-carbonitrile (CID 65045063) is 2-methylsulfonyl-1-(oxolan-2-ylmethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-methylsulfonyl-1-(oxolan-2-ylmethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-methylsulfonyl-1-(oxolan-2-ylmethylamino)cyclopentane-1-carbonitrile is CS(=O)(=O)C1CCCC1(C#N)NCC1CCCO1.
What is the InChIKey of 2-methylsulfonyl-1-(oxolan-2-ylmethylamino)cyclopentane-1-carbonitrile?
The InChIKey is HKCPISQOVCCPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-18(15,16)11-5-2-6-12(11,9-13)14-8-10-4-3-7-17-10/h10-11,14H,2-8H2,1H3.
What are the key properties of 2-methylsulfonyl-1-(oxolan-2-ylmethylamino)cyclopentane-1-carbonitrile?
2-methylsulfonyl-1-(oxolan-2-ylmethylamino)cyclopentane-1-carbonitrile has a molecular weight of 272.37 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(oxolan-2-ylmethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 65045063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).