N-(2-methylcyclopentyl)-1-methylsulfonylpiperidin-4-amine

C12H24N2O2S — CID 65044453

IUPACN-(2-methylcyclopentyl)-1-methylsulfonylpiperidin-4-amine
SMILESCC1CCCC1NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H24N2O2S/c1-10-4-3-5-12(10)13-11-6-8-14(9-7-11)17(2,15)16/h10-13H,3-9H2,1-2H3
InChIKeyRDVXDNRXJFSZHK-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.19
Rot. Bonds3

About N-(2-methylcyclopentyl)-1-methylsulfonylpiperidin-4-amine

N-(2-methylcyclopentyl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 65044453) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(2-methylcyclopentyl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methylcyclopentyl)-1-methylsulfonylpiperidin-4-amine
PubChem CID65044453
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(2-methylcyclopentyl)-1-methylsulfonylpiperidin-4-amine
SMILESCC1CCCC1NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H24N2O2S/c1-10-4-3-5-12(10)13-11-6-8-14(9-7-11)17(2,15)16/h10-13H,3-9H2,1-2H3
InChIKeyRDVXDNRXJFSZHK-UHFFFAOYSA-N
XLogP1.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopentyl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(2-methylcyclopentyl)-1-methylsulfonylpiperidin-4-amine (CID 65044453) is N-(2-methylcyclopentyl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(2-methylcyclopentyl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(2-methylcyclopentyl)-1-methylsulfonylpiperidin-4-amine is CC1CCCC1NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(2-methylcyclopentyl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is RDVXDNRXJFSZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10-4-3-5-12(10)13-11-6-8-14(9-7-11)17(2,15)16/h10-13H,3-9H2,1-2H3.
What are the key properties of N-(2-methylcyclopentyl)-1-methylsulfonylpiperidin-4-amine?
N-(2-methylcyclopentyl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 260.40 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopentyl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 65044453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).