1-(diethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile

C11H20N2O2S — CID 65050322

IUPAC1-(diethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
SMILESCCN(CC)C1(C#N)CCCC1S(C)(=O)=O
InChIInChI=1S/C11H20N2O2S/c1-4-13(5-2)11(9-12)8-6-7-10(11)16(3,14)15/h10H,4-8H2,1-3H3
InChIKeyHNEQYZFAQXUDHB-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.19
Rot. Bonds4

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

1-(diethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile (PubChem CID 65050322) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(diethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(diethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
PubChem CID65050322
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-(diethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
SMILESCCN(CC)C1(C#N)CCCC1S(C)(=O)=O
InChIInChI=1S/C11H20N2O2S/c1-4-13(5-2)11(9-12)8-6-7-10(11)16(3,14)15/h10H,4-8H2,1-3H3
InChIKeyHNEQYZFAQXUDHB-UHFFFAOYSA-N
XLogP1.19
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile?
The IUPAC name of 1-(diethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile (CID 65050322) is 1-(diethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(diethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-(diethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile is CCN(CC)C1(C#N)CCCC1S(C)(=O)=O.
What is the InChIKey of 1-(diethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile?
The InChIKey is HNEQYZFAQXUDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-4-13(5-2)11(9-12)8-6-7-10(11)16(3,14)15/h10H,4-8H2,1-3H3.
What are the key properties of 1-(diethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile?
1-(diethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile has a molecular weight of 244.36 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile is sourced from PubChem (CID 65050322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).