1-(3-chlorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide

C18H23ClN2O2S2 — CID 16888338

IUPAC1-(3-chlorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C18H23ClN2O2S2/c19-17-4-1-3-16(11-17)14-25(22,23)20-12-15-6-8-21(9-7-15)13-18-5-2-10-24-18/h1-5,10-11,15,20H,6-9,12-14H2
InChIKeyLLKVCZLMJDHIJM-UHFFFAOYSA-N
MW398.98 g/mol
LogP3.73
Rot. Bonds7

About 1-(3-chlorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide

1-(3-chlorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide (PubChem CID 16888338) has the molecular formula C18H23ClN2O2S2 and a molecular weight of 398.98 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
PubChem CID16888338
Molecular FormulaC18H23ClN2O2S2
Molecular Weight398.98 g/mol
Exact Mass398.09
IUPAC Name1-(3-chlorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C18H23ClN2O2S2/c19-17-4-1-3-16(11-17)14-25(22,23)20-12-15-6-8-21(9-7-15)13-18-5-2-10-24-18/h1-5,10-11,15,20H,6-9,12-14H2
InChIKeyLLKVCZLMJDHIJM-UHFFFAOYSA-N
XLogP3.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.98
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16888080
1-(3-chlorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide
CID 90522760
tert-butyl 4-[[(3-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylate
CID 71630261
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 16887670
4-ethoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888327
4-ethoxy-3-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888328
1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887673
2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591872
3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896234
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)methanesulfonamide
CID 16888256
N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887837

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide (CID 16888338) is 1-(3-chlorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide is O=S(=O)(Cc1cccc(Cl)c1)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is LLKVCZLMJDHIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2S2/c19-17-4-1-3-16(11-17)14-25(22,23)20-12-15-6-8-21(9-7-15)13-18-5-2-10-24-18/h1-5,10-11,15,20H,6-9,12-14H2.
What are the key properties of 1-(3-chlorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide?
1-(3-chlorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 398.98 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 16888338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).