2-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclohexan-1-amine

C16H32N2O2S — CID 79610709

IUPAC2-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H32N2O2S/c1-3-10-17-16-9-5-4-8-15(16)12-14-7-6-11-18(13-14)21(2,19)20/h14-17H,3-13H2,1-2H3
InChIKeyZBDIREXLNVTDRM-UHFFFAOYSA-N
MW316.51 g/mol
LogP2.61
Rot. Bonds6

About 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclohexan-1-amine

2-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclohexan-1-amine (PubChem CID 79610709) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclohexan-1-amine
PubChem CID79610709
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC Name2-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H32N2O2S/c1-3-10-17-16-9-5-4-8-15(16)12-14-7-6-11-18(13-14)21(2,19)20/h14-17H,3-13H2,1-2H3
InChIKeyZBDIREXLNVTDRM-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
CID 81014911
N-methyl-1-[4-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine
CID 81033463
3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-amine
CID 116539806
N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine
CID 79612688
3-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine
CID 105011176
3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine
CID 103746760
N-[(1-methylsulfonylpiperidin-3-yl)methyl]hexan-1-amine
CID 79609727
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-propylcyclopentan-1-amine
CID 62611367
N-[1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-1-amine
CID 79622196
4-methylsulfanyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine
CID 105166938

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclohexan-1-amine (CID 79610709) is 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclohexan-1-amine?
The InChIKey is ZBDIREXLNVTDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-3-10-17-16-9-5-4-8-15(16)12-14-7-6-11-18(13-14)21(2,19)20/h14-17H,3-13H2,1-2H3.
What are the key properties of 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclohexan-1-amine?
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclohexan-1-amine has a molecular weight of 316.51 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 79610709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).