N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine

C18H30N2O2S — CID 97230058

IUPACN-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(N[C@@H](C)Cc2ccccc2C)CC1
InChIInChI=1S/C18H30N2O2S/c1-4-13-23(21,22)20-11-9-18(10-12-20)19-16(3)14-17-8-6-5-7-15(17)2/h5-8,16,18-19H,4,9-14H2,1-3H3/t16-/m0/s1
InChIKeyPDJBLUFDYQJHKT-INIZCTEOSA-N
MW338.52 g/mol
LogP2.72
Rot. Bonds7

About N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine

N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine (PubChem CID 97230058) has the molecular formula C18H30N2O2S and a molecular weight of 338.52 g/mol. Its IUPAC name is N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine
PubChem CID97230058
Molecular FormulaC18H30N2O2S
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC NameN-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(N[C@@H](C)Cc2ccccc2C)CC1
InChIInChI=1S/C18H30N2O2S/c1-4-13-23(21,22)20-11-9-18(10-12-20)19-16(3)14-17-8-6-5-7-15(17)2/h5-8,16,18-19H,4,9-14H2,1-3H3/t16-/m0/s1
InChIKeyPDJBLUFDYQJHKT-INIZCTEOSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine
CID 75382742
1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidin-3-amine
CID 55141211
N-[1-(2-methylsulfanylphenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 86787422
N-[1-(2-methylphenyl)propan-2-yl]azepan-4-amine
CID 103981634
1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine
CID 80560977
1-[(2-methylphenyl)methyl]-4-propylsulfonylpiperazine;oxalic acid
CID 90483955
N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 60943738
N-(2-methylsulfonylphenyl)-1-propylsulfonylpiperidin-4-amine
CID 133322605
N-[1-(5-ethylfuran-2-yl)ethyl]-1-propylsulfonylpiperidin-4-amine
CID 75382744
N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide
CID 110823020
N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802448
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide
CID 43696323

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine?
The IUPAC name of N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine (CID 97230058) is N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine is CCCS(=O)(=O)N1CCC(N[C@@H](C)Cc2ccccc2C)CC1.
What is the InChIKey of N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine?
The InChIKey is PDJBLUFDYQJHKT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H30N2O2S/c1-4-13-23(21,22)20-11-9-18(10-12-20)19-16(3)14-17-8-6-5-7-15(17)2/h5-8,16,18-19H,4,9-14H2,1-3H3/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine?
N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine has a molecular weight of 338.52 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine is sourced from PubChem (CID 97230058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).