N-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine

C15H30N2O2S — CID 79622813

IUPACN-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine
SMILESCNCC1(CC2CCCN(S(C)(=O)=O)C2)CCCCC1
InChIInChI=1S/C15H30N2O2S/c1-16-13-15(8-4-3-5-9-15)11-14-7-6-10-17(12-14)20(2,18)19/h14,16H,3-13H2,1-2H3
InChIKeyAOMKBGCDVJYWGR-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.22
Rot. Bonds5

About N-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine

N-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine (PubChem CID 79622813) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is N-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine
PubChem CID79622813
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC NameN-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine
SMILESCNCC1(CC2CCCN(S(C)(=O)=O)C2)CCCCC1
InChIInChI=1S/C15H30N2O2S/c1-16-13-15(8-4-3-5-9-15)11-14-7-6-10-17(12-14)20(2,18)19/h14,16H,3-13H2,1-2H3
InChIKeyAOMKBGCDVJYWGR-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-yl]methanamine
CID 103727757
1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 79610971
3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine
CID 79622239
2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopentan-1-ol
CID 79609530
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
[3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 79621983
[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol
CID 79623271
4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one
CID 79610502
1-(1-hydroxycycloheptyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 103450370
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-propylazepane
CID 79619580
3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
CID 112563941
4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 79620255

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine (CID 79622813) is N-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine is CNCC1(CC2CCCN(S(C)(=O)=O)C2)CCCCC1.
What is the InChIKey of N-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine?
The InChIKey is AOMKBGCDVJYWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-16-13-15(8-4-3-5-9-15)11-14-7-6-10-17(12-14)20(2,18)19/h14,16H,3-13H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine?
N-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine has a molecular weight of 302.48 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 79622813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).