N-methyl-2-methylsulfonyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine

C13H28N2O2S — CID 79864779

IUPACN-methyl-2-methylsulfonyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine
SMILESCCCC1(CN(C)CCS(C)(=O)=O)CCCNC1
InChIInChI=1S/C13H28N2O2S/c1-4-6-13(7-5-8-14-11-13)12-15(2)9-10-18(3,16)17/h14H,4-12H2,1-3H3
InChIKeyOICVKJFITHPRKS-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.13
Rot. Bonds7

About N-methyl-2-methylsulfonyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine

N-methyl-2-methylsulfonyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine (PubChem CID 79864779) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-methyl-2-methylsulfonyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-methylsulfonyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine
PubChem CID79864779
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-methyl-2-methylsulfonyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine
SMILESCCCC1(CN(C)CCS(C)(=O)=O)CCCNC1
InChIInChI=1S/C13H28N2O2S/c1-4-6-13(7-5-8-14-11-13)12-15(2)9-10-18(3,16)17/h14H,4-12H2,1-3H3
InChIKeyOICVKJFITHPRKS-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(3-propylpiperidin-3-yl)methyl]propan-1-amine
CID 63132958
3-methyl-N-(3-methylbutyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine
CID 107870233
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride
CID 120898547
N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine
CID 63133103
1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
CID 63534076
2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 79842792
N,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63143069
1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
CID 63132884
N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]cyclopropanamine
CID 63133418
N-(2-methylpropyl)-N-[(3-propylpiperidin-3-yl)methyl]cyclopropanamine
CID 63133310
N-(2-methoxyethyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-2-amine
CID 55164134
N-methyl-2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
CID 65486941

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfonyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine?
The IUPAC name of N-methyl-2-methylsulfonyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine (CID 79864779) is N-methyl-2-methylsulfonyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-methyl-2-methylsulfonyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine?
The canonical SMILES for N-methyl-2-methylsulfonyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine is CCCC1(CN(C)CCS(C)(=O)=O)CCCNC1.
What is the InChIKey of N-methyl-2-methylsulfonyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine?
The InChIKey is OICVKJFITHPRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-6-13(7-5-8-14-11-13)12-15(2)9-10-18(3,16)17/h14H,4-12H2,1-3H3.
What are the key properties of N-methyl-2-methylsulfonyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine?
N-methyl-2-methylsulfonyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine has a molecular weight of 276.45 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfonyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 79864779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).