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

C13H28N2O2S — CID 103746760

IUPAC3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine
SMILESCCC(C)(CC)NCC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C13H28N2O2S/c1-5-13(3,6-2)14-10-12-8-7-9-15(11-12)18(4,16)17/h12,14H,5-11H2,1-4H3
InChIKeyHECHEKGKNXRIOZ-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.83
Rot. Bonds6

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

3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine (PubChem CID 103746760) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine
PubChem CID103746760
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine
SMILESCCC(C)(CC)NCC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C13H28N2O2S/c1-5-13(3,6-2)14-10-12-8-7-9-15(11-12)18(4,16)17/h12,14H,5-11H2,1-4H3
InChIKeyHECHEKGKNXRIOZ-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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)methanamine;hydrochloride
CID 119961049
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine
CID 79612453
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine
CID 79621958
2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol
CID 79609730
2-(3-methylphenyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine
CID 75443056
N-[(1-methylsulfonylpiperidin-3-yl)methyl]hexan-1-amine
CID 79609727
3-[2-(chloromethyl)-2-ethylbutyl]-1-methylsulfonylpiperidine
CID 79622675
1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 79612064
2-hydroxy-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612929
1-chloro-N-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-2-amine
CID 79622216

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine?
The IUPAC name of 3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine (CID 103746760) is 3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine is CCC(C)(CC)NCC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine?
The InChIKey is HECHEKGKNXRIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-5-13(3,6-2)14-10-12-8-7-9-15(11-12)18(4,16)17/h12,14H,5-11H2,1-4H3.
What are the key properties of 3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine?
3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine has a molecular weight of 276.45 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine is sourced from PubChem (CID 103746760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).