1-(3-chlorophenyl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine

C18H29ClN2O2S — CID 18352733

IUPAC1-(3-chlorophenyl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine
SMILESCCN(CC1CCN(S(C)(=O)=O)CC1)C(C)Cc1cccc(Cl)c1
InChIInChI=1S/C18H29ClN2O2S/c1-4-20(15(2)12-17-6-5-7-18(19)13-17)14-16-8-10-21(11-9-16)24(3,22)23/h5-7,13,15-16H,4,8-12,14H2,1-3H3
InChIKeyZOXLTZFWSXPRTN-UHFFFAOYSA-N
MW372.96 g/mol
LogP3.26
Rot. Bonds7

About 1-(3-chlorophenyl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine

1-(3-chlorophenyl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine (PubChem CID 18352733) has the molecular formula C18H29ClN2O2S and a molecular weight of 372.96 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine
PubChem CID18352733
Molecular FormulaC18H29ClN2O2S
Molecular Weight372.96 g/mol
Exact Mass372.16
IUPAC Name1-(3-chlorophenyl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine
SMILESCCN(CC1CCN(S(C)(=O)=O)CC1)C(C)Cc1cccc(Cl)c1
InChIInChI=1S/C18H29ClN2O2S/c1-4-20(15(2)12-17-6-5-7-18(19)13-17)14-16-8-10-21(11-9-16)24(3,22)23/h5-7,13,15-16H,4,8-12,14H2,1-3H3
InChIKeyZOXLTZFWSXPRTN-UHFFFAOYSA-N
XLogP3.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.96
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 18352901
4-[[1-(3-chlorophenyl)propan-2-yl-ethylamino]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 18353084
1-(1,3-benzodioxol-5-yl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine;hydrochloride
CID 69144308
N-[3-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]phenyl]furan-2-carboxamide
CID 18352993
(2R,3R)-2,3-dibenzoyloxybutanedioic acid;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine;hydrate
CID 69143275
N-[3-[2-[(1-methylsulfonylpiperidin-4-yl)methyl-propylamino]propyl]phenyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 18353029
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603278
1-chloro-3-(2-chloro-3-methylsulfonylbutyl)benzene
CID 104522148
1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 69141581
(3R,4S)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylsulfonylpiperidin-4-amine
CID 97026773
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 19411665
4-(1-chloroethyl)-1-(3-chlorophenyl)sulfonylpiperidine
CID 106839553

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine (CID 18352733) is 1-(3-chlorophenyl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine is CCN(CC1CCN(S(C)(=O)=O)CC1)C(C)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine?
The InChIKey is ZOXLTZFWSXPRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2O2S/c1-4-20(15(2)12-17-6-5-7-18(19)13-17)14-16-8-10-21(11-9-16)24(3,22)23/h5-7,13,15-16H,4,8-12,14H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine?
1-(3-chlorophenyl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine has a molecular weight of 372.96 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 18352733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).