[2-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]cyclohexyl]methanamine

C15H30N2O3S — CID 79609995

IUPAC[2-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]cyclohexyl]methanamine
SMILESCS(=O)(=O)N1CCCC(COCC2CCCCC2CN)C1
InChIInChI=1S/C15H30N2O3S/c1-21(18,19)17-8-4-5-13(10-17)11-20-12-15-7-3-2-6-14(15)9-16/h13-15H,2-12,16H2,1H3
InChIKeyRWXSMEVYGZEGET-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.44
Rot. Bonds6

About [2-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]cyclohexyl]methanamine

[2-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]cyclohexyl]methanamine (PubChem CID 79609995) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is [2-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]cyclohexyl]methanamine
PubChem CID79609995
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name[2-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]cyclohexyl]methanamine
SMILESCS(=O)(=O)N1CCCC(COCC2CCCCC2CN)C1
InChIInChI=1S/C15H30N2O3S/c1-21(18,19)17-8-4-5-13(10-17)11-20-12-15-7-3-2-6-14(15)9-16/h13-15H,2-12,16H2,1H3
InChIKeyRWXSMEVYGZEGET-UHFFFAOYSA-N
XLogP1.44
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine
CID 79604534
3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine
CID 79613127
1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine
CID 79611515
N-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine
CID 79609993
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine
CID 79610235
4-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]aniline
CID 79604451
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclopentan-1-amine
CID 79610956
2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
CID 81014911
2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 112565048
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918136
1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine
CID 79613125

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]cyclohexyl]methanamine?
The IUPAC name of [2-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]cyclohexyl]methanamine (CID 79609995) is [2-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]cyclohexyl]methanamine.
What is the SMILES notation for [2-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]cyclohexyl]methanamine?
The canonical SMILES for [2-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]cyclohexyl]methanamine is CS(=O)(=O)N1CCCC(COCC2CCCCC2CN)C1.
What is the InChIKey of [2-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]cyclohexyl]methanamine?
The InChIKey is RWXSMEVYGZEGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-21(18,19)17-8-4-5-13(10-17)11-20-12-15-7-3-2-6-14(15)9-16/h13-15H,2-12,16H2,1H3.
What are the key properties of [2-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]cyclohexyl]methanamine?
[2-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]cyclohexyl]methanamine has a molecular weight of 318.48 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]cyclohexyl]methanamine is sourced from PubChem (CID 79609995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).