1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carbonitrile

C11H20N2O2S — CID 65044709

IUPAC1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
SMILESCCC(C)NC1(C#N)CCCC1S(C)(=O)=O
InChIInChI=1S/C11H20N2O2S/c1-4-9(2)13-11(8-12)7-5-6-10(11)16(3,14)15/h9-10,13H,4-7H2,1-3H3
InChIKeyWIYIRKFXTWMUPI-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.23
Rot. Bonds4

About 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carbonitrile

1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carbonitrile (PubChem CID 65044709) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
PubChem CID65044709
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
SMILESCCC(C)NC1(C#N)CCCC1S(C)(=O)=O
InChIInChI=1S/C11H20N2O2S/c1-4-9(2)13-11(8-12)7-5-6-10(11)16(3,14)15/h9-10,13H,4-7H2,1-3H3
InChIKeyWIYIRKFXTWMUPI-UHFFFAOYSA-N
XLogP1.23
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carbonitrile?
The IUPAC name of 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carbonitrile (CID 65044709) is 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carbonitrile is CCC(C)NC1(C#N)CCCC1S(C)(=O)=O.
What is the InChIKey of 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carbonitrile?
The InChIKey is WIYIRKFXTWMUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-4-9(2)13-11(8-12)7-5-6-10(11)16(3,14)15/h9-10,13H,4-7H2,1-3H3.
What are the key properties of 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carbonitrile?
1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carbonitrile has a molecular weight of 244.36 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carbonitrile is sourced from PubChem (CID 65044709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).