1-(methylamino)-2-methylsulfonylcyclopentane-1-carbonitrile

C8H14N2O2S — CID 65045166

IUPAC1-(methylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1S(C)(=O)=O
InChIInChI=1S/C8H14N2O2S/c1-10-8(6-9)5-3-4-7(8)13(2,11)12/h7,10H,3-5H2,1-2H3
InChIKeyUDCLLXXJWBYJQP-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.07
Rot. Bonds2

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

1-(methylamino)-2-methylsulfonylcyclopentane-1-carbonitrile (PubChem CID 65045166) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 1-(methylamino)-2-methylsulfonylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(methylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
PubChem CID65045166
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name1-(methylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1S(C)(=O)=O
InChIInChI=1S/C8H14N2O2S/c1-10-8(6-9)5-3-4-7(8)13(2,11)12/h7,10H,3-5H2,1-2H3
InChIKeyUDCLLXXJWBYJQP-UHFFFAOYSA-N
XLogP0.07
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-methylsulfonylcyclopentane-1-carbonitrile?
The IUPAC name of 1-(methylamino)-2-methylsulfonylcyclopentane-1-carbonitrile (CID 65045166) is 1-(methylamino)-2-methylsulfonylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(methylamino)-2-methylsulfonylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-(methylamino)-2-methylsulfonylcyclopentane-1-carbonitrile is CNC1(C#N)CCCC1S(C)(=O)=O.
What is the InChIKey of 1-(methylamino)-2-methylsulfonylcyclopentane-1-carbonitrile?
The InChIKey is UDCLLXXJWBYJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-10-8(6-9)5-3-4-7(8)13(2,11)12/h7,10H,3-5H2,1-2H3.
What are the key properties of 1-(methylamino)-2-methylsulfonylcyclopentane-1-carbonitrile?
1-(methylamino)-2-methylsulfonylcyclopentane-1-carbonitrile has a molecular weight of 202.28 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-methylsulfonylcyclopentane-1-carbonitrile is sourced from PubChem (CID 65045166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).