N-[1-(2-methylsulfanylphenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine

C16H26N2O2S2 — CID 86787422

IUPACN-[1-(2-methylsulfanylphenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
SMILESCSc1ccccc1CC(C)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H26N2O2S2/c1-13(12-14-6-4-5-7-16(14)21-2)17-15-8-10-18(11-9-15)22(3,19)20/h4-7,13,15,17H,8-12H2,1-3H3
InChIKeyZLPHYSADIQEMTB-UHFFFAOYSA-N
MW342.53 g/mol
LogP2.35
Rot. Bonds6

About N-[1-(2-methylsulfanylphenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine

N-[1-(2-methylsulfanylphenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 86787422) has the molecular formula C16H26N2O2S2 and a molecular weight of 342.53 g/mol. Its IUPAC name is N-[1-(2-methylsulfanylphenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-methylsulfanylphenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
PubChem CID86787422
Molecular FormulaC16H26N2O2S2
Molecular Weight342.53 g/mol
Exact Mass342.14
IUPAC NameN-[1-(2-methylsulfanylphenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
SMILESCSc1ccccc1CC(C)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H26N2O2S2/c1-13(12-14-6-4-5-7-16(14)21-2)17-15-8-10-18(11-9-15)22(3,19)20/h4-7,13,15,17H,8-12H2,1-3H3
InChIKeyZLPHYSADIQEMTB-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(2S)-1-(2-methylsulfanylphenyl)propan-2-yl]amino]piperidine-1-carboxylate
CID 99853618
N-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 115708819
N-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 103779237
N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine
CID 97230058
N-[1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine
CID 75382742
N-[(2S)-4-(1H-indol-3-yl)butan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 95221627
N-(1-ethylsulfanylpropan-2-yl)-1-methylsulfonylpiperidin-4-amine
CID 56708476
2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol
CID 43628772
1-methylsulfonyl-N-[(2R)-1-phenylsulfanylbutan-2-yl]piperidin-4-amine
CID 97107832
4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol
CID 113262654
1-methylsulfonyl-N-(2-phenylpropyl)piperidin-4-amine
CID 43432051
1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone
CID 94923523

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylsulfanylphenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[1-(2-methylsulfanylphenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine (CID 86787422) is N-[1-(2-methylsulfanylphenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[1-(2-methylsulfanylphenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[1-(2-methylsulfanylphenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine is CSc1ccccc1CC(C)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[1-(2-methylsulfanylphenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is ZLPHYSADIQEMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S2/c1-13(12-14-6-4-5-7-16(14)21-2)17-15-8-10-18(11-9-15)22(3,19)20/h4-7,13,15,17H,8-12H2,1-3H3.
What are the key properties of N-[1-(2-methylsulfanylphenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine?
N-[1-(2-methylsulfanylphenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 342.53 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylsulfanylphenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 86787422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).