N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine

C14H23ClN2S — CID 62560300

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CCCN(CCNCc2ccc(Cl)s2)C1C
InChIInChI=1S/C14H23ClN2S/c1-11-4-3-8-17(12(11)2)9-7-16-10-13-5-6-14(15)18-13/h5-6,11-12,16H,3-4,7-10H2,1-2H3
InChIKeyJAJYFOIZTRAYIG-UHFFFAOYSA-N
MW286.87 g/mol
LogP3.61
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine

N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine (PubChem CID 62560300) has the molecular formula C14H23ClN2S and a molecular weight of 286.87 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine
PubChem CID62560300
Molecular FormulaC14H23ClN2S
Molecular Weight286.87 g/mol
Exact Mass286.13
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CCCN(CCNCc2ccc(Cl)s2)C1C
InChIInChI=1S/C14H23ClN2S/c1-11-4-3-8-17(12(11)2)9-7-16-10-13-5-6-14(15)18-13/h5-6,11-12,16H,3-4,7-10H2,1-2H3
InChIKeyJAJYFOIZTRAYIG-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28654114
N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114540403
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 63620344
N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
CID 62575679
N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62560301
1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62123229
2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one
CID 126837965
N-[(5-chlorothiophen-2-yl)methyl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine
CID 62554401
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 28565625
N-[(5-chlorothiophen-2-yl)methyl]-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 63620184
N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethylcyclohexyl)oxyethanamine
CID 64739740
methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate
CID 55134425

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine (CID 62560300) is N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine is CC1CCCN(CCNCc2ccc(Cl)s2)C1C.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
The InChIKey is JAJYFOIZTRAYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2S/c1-11-4-3-8-17(12(11)2)9-7-16-10-13-5-6-14(15)18-13/h5-6,11-12,16H,3-4,7-10H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine has a molecular weight of 286.87 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 62560300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).