1-(5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]methanamine

C13H21ClN2S — CID 104594891

IUPAC1-(5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]methanamine
SMILESCN(Cc1ccc(Cl)s1)CC1(C)CCCCN1
InChIInChI=1S/C13H21ClN2S/c1-13(7-3-4-8-15-13)10-16(2)9-11-5-6-12(14)17-11/h5-6,15H,3-4,7-10H2,1-2H3
InChIKeyRGDKFXZYJICYHA-UHFFFAOYSA-N
MW272.84 g/mol
LogP3.37
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]methanamine

1-(5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]methanamine (PubChem CID 104594891) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]methanamine
PubChem CID104594891
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC Name1-(5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]methanamine
SMILESCN(Cc1ccc(Cl)s1)CC1(C)CCCCN1
InChIInChI=1S/C13H21ClN2S/c1-13(7-3-4-8-15-13)10-16(2)9-11-5-6-12(14)17-11/h5-6,15H,3-4,7-10H2,1-2H3
InChIKeyRGDKFXZYJICYHA-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl]-2-methylpyrrolidine
CID 66466900
N-methyl-1-(4-methylphenyl)-N-[(2-methylpiperidin-2-yl)methyl]methanamine
CID 104594732
1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine
CID 55165548
1-(5-chlorothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]methanamine
CID 62256779
N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63494590
N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine
CID 63494041
2-[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopropyl]ethanamine
CID 65480533
N,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine
CID 104595090
1-(4-chlorophenyl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]ethanamine
CID 104595035
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
N-[(2-methylpiperidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 104594909
[(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide
CID 63705419

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]methanamine (CID 104594891) is 1-(5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]methanamine is CN(Cc1ccc(Cl)s1)CC1(C)CCCCN1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]methanamine?
The InChIKey is RGDKFXZYJICYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S/c1-13(7-3-4-8-15-13)10-16(2)9-11-5-6-12(14)17-11/h5-6,15H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]methanamine?
1-(5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]methanamine has a molecular weight of 272.84 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]methanamine is sourced from PubChem (CID 104594891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).