1-(cyclopentylmethylsulfonyl)-N,N-dimethylpiperidin-4-amine

C13H26N2O2S — CID 127491617

IUPAC1-(cyclopentylmethylsulfonyl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(S(=O)(=O)CC2CCCC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-14(2)13-7-9-15(10-8-13)18(16,17)11-12-5-3-4-6-12/h12-13H,3-11H2,1-2H3
InChIKeyLEMIZKPMQZDQMA-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.53
Rot. Bonds4

About 1-(cyclopentylmethylsulfonyl)-N,N-dimethylpiperidin-4-amine

1-(cyclopentylmethylsulfonyl)-N,N-dimethylpiperidin-4-amine (PubChem CID 127491617) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(cyclopentylmethylsulfonyl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(cyclopentylmethylsulfonyl)-N,N-dimethylpiperidin-4-amine
PubChem CID127491617
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-(cyclopentylmethylsulfonyl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(S(=O)(=O)CC2CCCC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-14(2)13-7-9-15(10-8-13)18(16,17)11-12-5-3-4-6-12/h12-13H,3-11H2,1-2H3
InChIKeyLEMIZKPMQZDQMA-UHFFFAOYSA-N
XLogP1.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethylsulfonyl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(cyclopentylmethylsulfonyl)-N,N-dimethylpiperidin-4-amine (CID 127491617) is 1-(cyclopentylmethylsulfonyl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(cyclopentylmethylsulfonyl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(cyclopentylmethylsulfonyl)-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(S(=O)(=O)CC2CCCC2)CC1.
What is the InChIKey of 1-(cyclopentylmethylsulfonyl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is LEMIZKPMQZDQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-14(2)13-7-9-15(10-8-13)18(16,17)11-12-5-3-4-6-12/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-(cyclopentylmethylsulfonyl)-N,N-dimethylpiperidin-4-amine?
1-(cyclopentylmethylsulfonyl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 274.43 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethylsulfonyl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 127491617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).