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

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

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).