N-(2,6-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine

C16H32N2O2S — CID 43747959

IUPACN-(2,6-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NC2C(C)CCCC2C)CC1
InChIInChI=1S/C16H32N2O2S/c1-4-12-21(19,20)18-10-8-15(9-11-18)17-16-13(2)6-5-7-14(16)3/h13-17H,4-12H2,1-3H3
InChIKeyMKFNHEFJNZOKHY-UHFFFAOYSA-N
MW316.51 g/mol
LogP2.60
Rot. Bonds5

About N-(2,6-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine

N-(2,6-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine (PubChem CID 43747959) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine
PubChem CID43747959
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC NameN-(2,6-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NC2C(C)CCCC2C)CC1
InChIInChI=1S/C16H32N2O2S/c1-4-12-21(19,20)18-10-8-15(9-11-18)17-16-13(2)6-5-7-14(16)3/h13-17H,4-12H2,1-3H3
InChIKeyMKFNHEFJNZOKHY-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine
CID 64760268
1-propylsulfonyl-N-(thian-3-yl)piperidin-4-amine
CID 62871995
N-(2,6-dimethylcyclohexyl)-1-methylpiperidin-4-amine
CID 43215959
N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 43748011
trans-(2R,6R)-N-cyclopropyl-2,6-dimethylcyclohexan-1-amine
CID 30046667
1-cycloheptyl-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86992837
N-pentyl-1-propylsulfonylpiperidin-4-amine
CID 43747927
1,4-bis(propylsulfonyl)-1,4-diazepane
CID 52744132
N-heptyl-1-propylsulfonylpiperidin-4-amine
CID 43747983
(3S)-1-propylsulfonylpyrrolidin-3-ol
CID 64723970
1-propylsulfonylpyrrolidin-3-ol
CID 62916606
N-(2-methylcyclopentyl)-1-methylsulfonylpiperidin-4-amine
CID 65044453

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine (CID 43747959) is N-(2,6-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine is CCCS(=O)(=O)N1CCC(NC2C(C)CCCC2C)CC1.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine?
The InChIKey is MKFNHEFJNZOKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-4-12-21(19,20)18-10-8-15(9-11-18)17-16-13(2)6-5-7-14(16)3/h13-17H,4-12H2,1-3H3.
What are the key properties of N-(2,6-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine?
N-(2,6-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine has a molecular weight of 316.51 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43747959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).