3-methylsulfonyl-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine

C13H28N2O2S — CID 106635862

IUPAC3-methylsulfonyl-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine
SMILESCCCN(CCCS(C)(=O)=O)CC1CCCCN1
InChIInChI=1S/C13H28N2O2S/c1-3-9-15(10-6-11-18(2,16)17)12-13-7-4-5-8-14-13/h13-14H,3-12H2,1-2H3
InChIKeyJMZXPLJWTGBJFV-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.28
Rot. Bonds8

About 3-methylsulfonyl-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine

3-methylsulfonyl-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine (PubChem CID 106635862) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-methylsulfonyl-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine
PubChem CID106635862
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name3-methylsulfonyl-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine
SMILESCCCN(CCCS(C)(=O)=O)CC1CCCCN1
InChIInChI=1S/C13H28N2O2S/c1-3-9-15(10-6-11-18(2,16)17)12-13-7-4-5-8-14-13/h13-14H,3-12H2,1-2H3
InChIKeyJMZXPLJWTGBJFV-UHFFFAOYSA-N
XLogP1.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
N-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615294
N-(2-ethylsulfanylethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635829
N-methyl-N-(piperidin-2-ylmethyl)propane-1-sulfonamide
CID 106630421
2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile
CID 106636097
N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 104870166
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635937
N-(2-cyclopropylethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615993
N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604137
N-methyl-2-piperidin-2-yl-N-propylethanesulfonamide
CID 60863663
2-[2-ethylsulfonylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618300

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine?
The IUPAC name of 3-methylsulfonyl-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine (CID 106635862) is 3-methylsulfonyl-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-methylsulfonyl-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-methylsulfonyl-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine is CCCN(CCCS(C)(=O)=O)CC1CCCCN1.
What is the InChIKey of 3-methylsulfonyl-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine?
The InChIKey is JMZXPLJWTGBJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-3-9-15(10-6-11-18(2,16)17)12-13-7-4-5-8-14-13/h13-14H,3-12H2,1-2H3.
What are the key properties of 3-methylsulfonyl-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine?
3-methylsulfonyl-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine has a molecular weight of 276.45 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine is sourced from PubChem (CID 106635862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).