3,3,5-trimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine

C16H32N2O2S — CID 79612123

IUPAC3,3,5-trimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine
SMILESCC1CC(C)(C)CC(N)(CC2CCCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C16H32N2O2S/c1-13-8-15(2,3)12-16(17,9-13)10-14-6-5-7-18(11-14)21(4,19)20/h13-14H,5-12,17H2,1-4H3
InChIKeyRAOZYAZJVJYFNT-UHFFFAOYSA-N
MW316.51 g/mol
LogP2.59
Rot. Bonds3

About 3,3,5-trimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine

3,3,5-trimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine (PubChem CID 79612123) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is 3,3,5-trimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine
PubChem CID79612123
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC Name3,3,5-trimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine
SMILESCC1CC(C)(C)CC(N)(CC2CCCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C16H32N2O2S/c1-13-8-15(2,3)12-16(17,9-13)10-14-6-5-7-18(11-14)21(4,19)20/h13-14H,5-12,17H2,1-4H3
InChIKeyRAOZYAZJVJYFNT-UHFFFAOYSA-N
XLogP2.59
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-amine
CID 79612932
3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
CID 112563941
1-(2,2-dimethylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 107003956
2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopentan-1-ol
CID 79609530
3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 80561478
3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 79620250
1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 79610971
3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine
CID 79622239
3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-amine
CID 116539806
3-[(1-methylsulfonylpiperidin-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 79612923
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol
CID 79622641
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine (CID 79612123) is 3,3,5-trimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine is CC1CC(C)(C)CC(N)(CC2CCCN(S(C)(=O)=O)C2)C1.
What is the InChIKey of 3,3,5-trimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is RAOZYAZJVJYFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-13-8-15(2,3)12-16(17,9-13)10-14-6-5-7-18(11-14)21(4,19)20/h13-14H,5-12,17H2,1-4H3.
What are the key properties of 3,3,5-trimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine?
3,3,5-trimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 316.51 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79612123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).