N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylpiperidin-2-yl)methanamine

C12H19ClN2S — CID 114421555

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylpiperidin-2-yl)methanamine
SMILESCC1CCNC(CNCc2ccc(Cl)s2)C1
InChIInChI=1S/C12H19ClN2S/c1-9-4-5-15-10(6-9)7-14-8-11-2-3-12(13)16-11/h2-3,9-10,14-15H,4-8H2,1H3
InChIKeyGYTCRKLCSFKCRS-UHFFFAOYSA-N
MW258.82 g/mol
LogP2.88
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylpiperidin-2-yl)methanamine

N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylpiperidin-2-yl)methanamine (PubChem CID 114421555) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylpiperidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylpiperidin-2-yl)methanamine
PubChem CID114421555
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylpiperidin-2-yl)methanamine
SMILESCC1CCNC(CNCc2ccc(Cl)s2)C1
InChIInChI=1S/C12H19ClN2S/c1-9-4-5-15-10(6-9)7-14-8-11-2-3-12(13)16-11/h2-3,9-10,14-15H,4-8H2,1H3
InChIKeyGYTCRKLCSFKCRS-UHFFFAOYSA-N
XLogP2.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 114421441
3-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopentan-1-amine
CID 66007810
N-[(5-chlorothiophen-2-yl)methyl]-1-(3,3-dimethylpiperidin-2-yl)methanamine
CID 114084469
trans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine
CID 94428351
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532810
N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethylcyclohexyl)oxyethanamine
CID 64739740
N-[(5-bromothiophen-2-yl)methyl]-1-(2-methylpyrrolidin-3-yl)methanamine
CID 79384245
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64570073
N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95598780
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-ethyloxolan-3-amine
CID 66259724
1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724290
1-[(5-chlorothiophen-2-yl)methyl]-3,7-dimethyl-1,4-diazepane
CID 64870175

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylpiperidin-2-yl)methanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylpiperidin-2-yl)methanamine (CID 114421555) is N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylpiperidin-2-yl)methanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylpiperidin-2-yl)methanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylpiperidin-2-yl)methanamine is CC1CCNC(CNCc2ccc(Cl)s2)C1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylpiperidin-2-yl)methanamine?
The InChIKey is GYTCRKLCSFKCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2S/c1-9-4-5-15-10(6-9)7-14-8-11-2-3-12(13)16-11/h2-3,9-10,14-15H,4-8H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylpiperidin-2-yl)methanamine?
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylpiperidin-2-yl)methanamine has a molecular weight of 258.82 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylpiperidin-2-yl)methanamine is sourced from PubChem (CID 114421555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).