7-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]octan-1-amine

C16H34N2O2S — CID 107814961

IUPAC7-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]octan-1-amine
SMILESCC(C)CCCCCCNCC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H34N2O2S/c1-15(2)9-6-4-5-7-11-17-13-16-10-8-12-18(14-16)21(3,19)20/h15-17H,4-14H2,1-3H3
InChIKeyDSMDPAIUKRHJPE-UHFFFAOYSA-N
MW318.53 g/mol
LogP2.85
Rot. Bonds10

About 7-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]octan-1-amine

7-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]octan-1-amine (PubChem CID 107814961) has the molecular formula C16H34N2O2S and a molecular weight of 318.53 g/mol. Its IUPAC name is 7-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]octan-1-amine.

Molecular Properties

Compound Name7-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]octan-1-amine
PubChem CID107814961
Molecular FormulaC16H34N2O2S
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC Name7-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]octan-1-amine
SMILESCC(C)CCCCCCNCC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H34N2O2S/c1-15(2)9-6-4-5-7-11-17-13-16-10-8-12-18(14-16)21(3,19)20/h15-17H,4-14H2,1-3H3
InChIKeyDSMDPAIUKRHJPE-UHFFFAOYSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylsulfonylpiperidin-3-yl)methyl]hexan-1-amine
CID 79609727
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
4-methyl-6-[(1-methylsulfonylpiperidin-3-yl)methylamino]hexanoic acid
CID 79610716
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 79612064
2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
CID 82843502
3-methyl-4-[(1-methylsulfonylpiperidin-3-yl)methylamino]butan-1-ol
CID 79613327
3-[[(1-methylsulfonylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 106132238
2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol
CID 79609730
2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propanoic acid
CID 79609766
(2S)-2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propanoic acid
CID 83194002
(2S)-3-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methylamino]butan-1-ol
CID 79611765

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]octan-1-amine?
The IUPAC name of 7-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]octan-1-amine (CID 107814961) is 7-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]octan-1-amine.
What is the SMILES notation for 7-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]octan-1-amine?
The canonical SMILES for 7-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]octan-1-amine is CC(C)CCCCCCNCC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 7-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]octan-1-amine?
The InChIKey is DSMDPAIUKRHJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2S/c1-15(2)9-6-4-5-7-11-17-13-16-10-8-12-18(14-16)21(3,19)20/h15-17H,4-14H2,1-3H3.
What are the key properties of 7-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]octan-1-amine?
7-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]octan-1-amine has a molecular weight of 318.53 g/mol, XLogP of 2.85, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]octan-1-amine is sourced from PubChem (CID 107814961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).