2-(4-chlorophenyl)sulfonyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine

C15H23ClN2O2S — CID 106636374

IUPAC2-(4-chlorophenyl)sulfonyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
SMILESCN(CCS(=O)(=O)c1ccc(Cl)cc1)CC1CCCNC1
InChIInChI=1S/C15H23ClN2O2S/c1-18(12-13-3-2-8-17-11-13)9-10-21(19,20)15-6-4-14(16)5-7-15/h4-7,13,17H,2-3,8-12H2,1H3
InChIKeyGCZYFDYAAXJEPF-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.05
Rot. Bonds6

About 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine

2-(4-chlorophenyl)sulfonyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 106636374) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID106636374
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
SMILESCN(CCS(=O)(=O)c1ccc(Cl)cc1)CC1CCCNC1
InChIInChI=1S/C15H23ClN2O2S/c1-18(12-13-3-2-8-17-11-13)9-10-21(19,20)15-6-4-14(16)5-7-15/h4-7,13,17H,2-3,8-12H2,1H3
InChIKeyGCZYFDYAAXJEPF-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106631237
N-methyl-3-methylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 104870274
(E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide
CID 106630787
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
2-(4-bromophenyl)sulfonyl-N-(cyclopropylmethyl)-N-methylethanamine
CID 51086821
4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630836
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623709
2-(3-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
CID 103815664
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 113267788
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815611
N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106630837
N-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine
CID 63642004

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine (CID 106636374) is 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine is CN(CCS(=O)(=O)c1ccc(Cl)cc1)CC1CCCNC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is GCZYFDYAAXJEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-18(12-13-3-2-8-17-11-13)9-10-21(19,20)15-6-4-14(16)5-7-15/h4-7,13,17H,2-3,8-12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine?
2-(4-chlorophenyl)sulfonyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 330.88 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106636374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).