[1-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylpiperidin-2-yl]methanamine

C15H22Cl2N2S — CID 103441685

IUPAC[1-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(CCSc2cc(Cl)ccc2Cl)C(CN)C1
InChIInChI=1S/C15H22Cl2N2S/c1-11-4-5-19(13(8-11)10-18)6-7-20-15-9-12(16)2-3-14(15)17/h2-3,9,11,13H,4-8,10,18H2,1H3
InChIKeyDIUWONXKEWIKSY-UHFFFAOYSA-N
MW333.33 g/mol
LogP4.14
Rot. Bonds5

About [1-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylpiperidin-2-yl]methanamine

[1-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylpiperidin-2-yl]methanamine (PubChem CID 103441685) has the molecular formula C15H22Cl2N2S and a molecular weight of 333.33 g/mol. Its IUPAC name is [1-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylpiperidin-2-yl]methanamine
PubChem CID103441685
Molecular FormulaC15H22Cl2N2S
Molecular Weight333.33 g/mol
Exact Mass332.09
IUPAC Name[1-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(CCSc2cc(Cl)ccc2Cl)C(CN)C1
InChIInChI=1S/C15H22Cl2N2S/c1-11-4-5-19(13(8-11)10-18)6-7-20-15-9-12(16)2-3-14(15)17/h2-3,9,11,13H,4-8,10,18H2,1H3
InChIKeyDIUWONXKEWIKSY-UHFFFAOYSA-N
XLogP4.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylpiperidin-2-yl]methanamine 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

[(2S)-1-[2-(2,5-dichlorophenyl)sulfanylethyl]pyrrolidin-2-yl]methanol
CID 78993195
1-[1-[2-(2,5-dichlorophenyl)sulfanylethyl]pyrrolidin-3-yl]ethanamine
CID 112630214
5-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66207872
[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine
CID 103441656
(3R)-1-[2-(2,5-dichlorophenyl)sulfanylethyl]pyrrolidin-3-amine;hydrochloride
CID 119904978
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 103441774
[4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine
CID 103441948
[1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440543
1-[2-(2,5-dichlorophenyl)sulfanylethyl]piperazine-2-carbonitrile
CID 79085341
[4-methyl-1-(4-methylpentyl)piperidin-2-yl]methanamine
CID 83158891
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylcyclohexan-1-amine
CID 55026692
[1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine
CID 63841352

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylpiperidin-2-yl]methanamine (CID 103441685) is [1-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylpiperidin-2-yl]methanamine is CC1CCN(CCSc2cc(Cl)ccc2Cl)C(CN)C1.
What is the InChIKey of [1-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylpiperidin-2-yl]methanamine?
The InChIKey is DIUWONXKEWIKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2S/c1-11-4-5-19(13(8-11)10-18)6-7-20-15-9-12(16)2-3-14(15)17/h2-3,9,11,13H,4-8,10,18H2,1H3.
What are the key properties of [1-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylpiperidin-2-yl]methanamine?
[1-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylpiperidin-2-yl]methanamine has a molecular weight of 333.33 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103441685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).