N-[(4-methylsulfonylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine

C16H26N2O2S — CID 79538390

IUPACN-[(4-methylsulfonylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
SMILESCC(CC1CCCCN1)NCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H26N2O2S/c1-13(11-15-5-3-4-10-17-15)18-12-14-6-8-16(9-7-14)21(2,19)20/h6-9,13,15,17-18H,3-5,10-12H2,1-2H3
InChIKeyGSWZTTCSWHZHSP-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.10
Rot. Bonds6

About N-[(4-methylsulfonylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine

N-[(4-methylsulfonylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine (PubChem CID 79538390) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[(4-methylsulfonylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-methylsulfonylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
PubChem CID79538390
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[(4-methylsulfonylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
SMILESCC(CC1CCCCN1)NCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H26N2O2S/c1-13(11-15-5-3-4-10-17-15)18-12-14-6-8-16(9-7-14)21(2,19)20/h6-9,13,15,17-18H,3-5,10-12H2,1-2H3
InChIKeyGSWZTTCSWHZHSP-UHFFFAOYSA-N
XLogP2.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79548722
N-[(4-methylsulfonylphenyl)methyl]-3-piperidin-2-ylpropan-1-amine
CID 62212890
1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine
CID 79559972
[3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol
CID 107229716
1-(azepan-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine
CID 79560021
N-[(2-methyl-3-nitrophenyl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 103114742
1-(azepan-2-yl)-N-(2-methylsulfonylethyl)propan-2-amine
CID 79560223
4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol
CID 79536773
1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine
CID 79553439
N-[(4-methylsulfonylphenyl)methyl]butan-2-amine
CID 61068227
1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 79548872
N-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79537589

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine?
The IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine (CID 79538390) is N-[(4-methylsulfonylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine.
What is the SMILES notation for N-[(4-methylsulfonylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine?
The canonical SMILES for N-[(4-methylsulfonylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine is CC(CC1CCCCN1)NCc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[(4-methylsulfonylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine?
The InChIKey is GSWZTTCSWHZHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13(11-15-5-3-4-10-17-15)18-12-14-6-8-16(9-7-14)21(2,19)20/h6-9,13,15,17-18H,3-5,10-12H2,1-2H3.
What are the key properties of N-[(4-methylsulfonylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine?
N-[(4-methylsulfonylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine has a molecular weight of 310.46 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine is sourced from PubChem (CID 79538390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).