3-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine

C15H23ClN2O3S — CID 119992878

IUPAC3-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
SMILESCc1cc(Cl)ccc1S(=O)(=O)N1CCC(OCCCN)CC1
InChIInChI=1S/C15H23ClN2O3S/c1-12-11-13(16)3-4-15(12)22(19,20)18-8-5-14(6-9-18)21-10-2-7-17/h3-4,11,14H,2,5-10,17H2,1H3
InChIKeyJCIFYVAKFROMDE-UHFFFAOYSA-N
MW346.88 g/mol
LogP2.17
Rot. Bonds6

About 3-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine

3-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine (PubChem CID 119992878) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is 3-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
PubChem CID119992878
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC Name3-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
SMILESCc1cc(Cl)ccc1S(=O)(=O)N1CCC(OCCCN)CC1
InChIInChI=1S/C15H23ClN2O3S/c1-12-11-13(16)3-4-15(12)22(19,20)18-8-5-14(6-9-18)21-10-2-7-17/h3-4,11,14H,2,5-10,17H2,1H3
InChIKeyJCIFYVAKFROMDE-UHFFFAOYSA-N
XLogP2.17
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-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

3-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992755
[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119964008
3-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992794
methyl 4-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-3-chlorobenzoate;hydrochloride
CID 119992696
3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992733
3-[1-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]piperidin-4-yl]oxypropan-1-amine
CID 119992787
3-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 120712446
3-[1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]piperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992772
3-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992673
3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 79736720
3-[1-(2-methyl-3-nitrophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992677
3-[1-(3,6-dimethyl-2-nitrophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 120712468

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine (CID 119992878) is 3-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine is Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(OCCCN)CC1.
What is the InChIKey of 3-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine?
The InChIKey is JCIFYVAKFROMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-12-11-13(16)3-4-15(12)22(19,20)18-8-5-14(6-9-18)21-10-2-7-17/h3-4,11,14H,2,5-10,17H2,1H3.
What are the key properties of 3-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine?
3-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine has a molecular weight of 346.88 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 119992878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).