N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

C13H21ClN2S — CID 79427153

IUPACN-[(4-chlorothiophen-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCc1cc(Cl)cs1)CN1CCCC1
InChIInChI=1S/C13H21ClN2S/c1-11(9-16-4-2-3-5-16)7-15-8-13-6-12(14)10-17-13/h6,10-11,15H,2-5,7-9H2,1H3
InChIKeyKXISFTAFFQYMOX-UHFFFAOYSA-N
MW272.84 g/mol
LogP3.22
Rot. Bonds6

About N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 79427153) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID79427153
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCc1cc(Cl)cs1)CN1CCCC1
InChIInChI=1S/C13H21ClN2S/c1-11(9-16-4-2-3-5-16)7-15-8-13-6-12(14)10-17-13/h6,10-11,15H,2-5,7-9H2,1H3
InChIKeyKXISFTAFFQYMOX-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 79420468
N-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 114842325
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115767635
2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 61222270
N-[(4-chlorothiophen-2-yl)methyl]-2,2-dimethoxyethanamine
CID 79419390
2-methyl-N-[(5-nitrothiophen-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 61019869
2-[[(2-methyl-3-piperidin-1-ylpropyl)amino]methyl]thiophen-3-amine
CID 66387783
2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957579
2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911598
2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62993045
4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]benzene-1,2-diol
CID 60957707
N-[(5-iodofuran-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62992693

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (CID 79427153) is N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is CC(CNCc1cc(Cl)cs1)CN1CCCC1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is KXISFTAFFQYMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S/c1-11(9-16-4-2-3-5-16)7-15-8-13-6-12(14)10-17-13/h6,10-11,15H,2-5,7-9H2,1H3.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 272.84 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 79427153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).