N-[(3-methylphenyl)methyl]-1-propylsulfonylpiperidin-4-amine

C16H26N2O2S — CID 43747948

IUPACN-[(3-methylphenyl)methyl]-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NCc2cccc(C)c2)CC1
InChIInChI=1S/C16H26N2O2S/c1-3-11-21(19,20)18-9-7-16(8-10-18)17-13-15-6-4-5-14(2)12-15/h4-6,12,16-17H,3,7-11,13H2,1-2H3
InChIKeyYCGDMWHHQJLYSF-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.29
Rot. Bonds6

About N-[(3-methylphenyl)methyl]-1-propylsulfonylpiperidin-4-amine

N-[(3-methylphenyl)methyl]-1-propylsulfonylpiperidin-4-amine (PubChem CID 43747948) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1-propylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1-propylsulfonylpiperidin-4-amine
PubChem CID43747948
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[(3-methylphenyl)methyl]-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NCc2cccc(C)c2)CC1
InChIInChI=1S/C16H26N2O2S/c1-3-11-21(19,20)18-9-7-16(8-10-18)17-13-15-6-4-5-14(2)12-15/h4-6,12,16-17H,3,7-11,13H2,1-2H3
InChIKeyYCGDMWHHQJLYSF-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol
CID 43747980
N-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 29274544
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 43748006
N-[(3-methylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43768782
N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 62344557
N-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 146127945
N-[(5-iodofuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 43791483
N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid
CID 163327213
cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 95376410
1-ethylsulfonyl-4-[(3-methylphenyl)methylsulfonyl]piperazine
CID 110819012
1-propylsulfonyl-N-(pyrimidin-4-ylmethyl)piperidin-4-amine
CID 62748365

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1-propylsulfonylpiperidin-4-amine?
The IUPAC name of N-[(3-methylphenyl)methyl]-1-propylsulfonylpiperidin-4-amine (CID 43747948) is N-[(3-methylphenyl)methyl]-1-propylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1-propylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1-propylsulfonylpiperidin-4-amine is CCCS(=O)(=O)N1CCC(NCc2cccc(C)c2)CC1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1-propylsulfonylpiperidin-4-amine?
The InChIKey is YCGDMWHHQJLYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-11-21(19,20)18-9-7-16(8-10-18)17-13-15-6-4-5-14(2)12-15/h4-6,12,16-17H,3,7-11,13H2,1-2H3.
What are the key properties of N-[(3-methylphenyl)methyl]-1-propylsulfonylpiperidin-4-amine?
N-[(3-methylphenyl)methyl]-1-propylsulfonylpiperidin-4-amine has a molecular weight of 310.46 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1-propylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43747948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).