N-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine

C13H28N2O2S — CID 79622916

IUPACN-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine
SMILESCCC(CCCC1CCCN(S(C)(=O)=O)C1)NC
InChIInChI=1S/C13H28N2O2S/c1-4-13(14-2)9-5-7-12-8-6-10-15(11-12)18(3,16)17/h12-14H,4-11H2,1-3H3
InChIKeyMIEAPMVUWCKPSS-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.83
Rot. Bonds7

About N-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine

N-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine (PubChem CID 79622916) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine.

Molecular Properties

Compound NameN-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine
PubChem CID79622916
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine
SMILESCCC(CCCC1CCCN(S(C)(=O)=O)C1)NC
InChIInChI=1S/C13H28N2O2S/c1-4-13(14-2)9-5-7-12-8-6-10-15(11-12)18(3,16)17/h12-14H,4-11H2,1-3H3
InChIKeyMIEAPMVUWCKPSS-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611003
3-(4-bromohexyl)-1-methylsulfonylpiperidine
CID 79622835
1-methoxy-N-methyl-4-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79609763
N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79612431
3-(4-chlorobutyl)-1-methylsulfonylpiperidine
CID 79622058
4-ethoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166964
1-ethoxy-N-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79622286
N-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine
CID 79610239
1-chloro-N-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-2-amine
CID 79622216
N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine
CID 79612688
1-(1-methylsulfonylpiperidin-3-yl)heptan-4-one
CID 79622826
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine?
The IUPAC name of N-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine (CID 79622916) is N-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine.
What is the SMILES notation for N-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine?
The canonical SMILES for N-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine is CCC(CCCC1CCCN(S(C)(=O)=O)C1)NC.
What is the InChIKey of N-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine?
The InChIKey is MIEAPMVUWCKPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-13(14-2)9-5-7-12-8-6-10-15(11-12)18(3,16)17/h12-14H,4-11H2,1-3H3.
What are the key properties of N-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine?
N-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine has a molecular weight of 276.45 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine is sourced from PubChem (CID 79622916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).