1-(dimethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile

C9H16N2O2S — CID 65050269

IUPAC1-(dimethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
SMILESCN(C)C1(C#N)CCCC1S(C)(=O)=O
InChIInChI=1S/C9H16N2O2S/c1-11(2)9(7-10)6-4-5-8(9)14(3,12)13/h8H,4-6H2,1-3H3
InChIKeyXIDKGKIVGLVFMU-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.41
Rot. Bonds2

About 1-(dimethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile

1-(dimethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile (PubChem CID 65050269) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(dimethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
PubChem CID65050269
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name1-(dimethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
SMILESCN(C)C1(C#N)CCCC1S(C)(=O)=O
InChIInChI=1S/C9H16N2O2S/c1-11(2)9(7-10)6-4-5-8(9)14(3,12)13/h8H,4-6H2,1-3H3
InChIKeyXIDKGKIVGLVFMU-UHFFFAOYSA-N
XLogP0.41
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 141833661
CID 141833661
CID 65044709
CID 65044709
CID 65044960
CID 65044960
CID 65045118
CID 65045118
CID 65045120
CID 65045120
CID 65045166
CID 65045166
CID 65045168
CID 65045168
CID 65045170
CID 65045170
CID 65045224
CID 65045224
CID 65050322
CID 65050322
CID 65050324
CID 65050324
CID 65050378
CID 65050378

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile?
The IUPAC name of 1-(dimethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile (CID 65050269) is 1-(dimethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(dimethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-(dimethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile is CN(C)C1(C#N)CCCC1S(C)(=O)=O.
What is the InChIKey of 1-(dimethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile?
The InChIKey is XIDKGKIVGLVFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-11(2)9(7-10)6-4-5-8(9)14(3,12)13/h8H,4-6H2,1-3H3.
What are the key properties of 1-(dimethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile?
1-(dimethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile has a molecular weight of 216.31 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile is sourced from PubChem (CID 65050269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).