N-[(5-chlorothiophen-3-yl)methyl]ethanamine

C7H10ClNS — CID 130992478

IUPACN-[(5-chlorothiophen-3-yl)methyl]ethanamine
SMILESCCNCc1csc(Cl)c1
InChIInChI=1S/C7H10ClNS/c1-2-9-4-6-3-7(8)10-5-6/h3,5,9H,2,4H2,1H3
InChIKeyJLEUSNCRMSETIM-UHFFFAOYSA-N
MW175.68 g/mol
LogP2.51
Rot. Bonds3

About N-[(5-chlorothiophen-3-yl)methyl]ethanamine

N-[(5-chlorothiophen-3-yl)methyl]ethanamine (PubChem CID 130992478) has the molecular formula C7H10ClNS and a molecular weight of 175.68 g/mol. Its IUPAC name is N-[(5-chlorothiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-3-yl)methyl]ethanamine
PubChem CID130992478
Molecular FormulaC7H10ClNS
Molecular Weight175.68 g/mol
Exact Mass175.02
IUPAC NameN-[(5-chlorothiophen-3-yl)methyl]ethanamine
SMILESCCNCc1csc(Cl)c1
InChIInChI=1S/C7H10ClNS/c1-2-9-4-6-3-7(8)10-5-6/h3,5,9H,2,4H2,1H3
InChIKeyJLEUSNCRMSETIM-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.68
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methyl-3-Thiophenemethanamine
CID 693140
Methyl(thiophen-3-ylmethyl)amine hydrochloride
CID 17368893
(5-Chlorothiophen-3-yl)methanamine hydrochloride
CID 57415853
4-[(2,5-Dichlorothiophen-3-yl)methyl]thiomorpholine
CID 2806072
(5-Chlorothiophen-3-yl)methanamine
CID 55283981
N-(thiophen-3-ylmethyl)propan-1-amine
CID 4723846
N-(thiophen-3-ylmethyl)prop-2-en-1-amine
CID 4723852
N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 107961499
N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroethanamine
CID 107961506
(2S)-N-[(2-chlorothiophen-3-yl)methyl]-1-fluoropropan-2-amine
CID 124253615
cis-(1S,2R)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine
CID 130685133
cis-(1R,2S)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine
CID 130835205

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chlorothiophen-3-yl)methyl]ethanamine (CID 130992478) is N-[(5-chlorothiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-3-yl)methyl]ethanamine is CCNCc1csc(Cl)c1.
What is the InChIKey of N-[(5-chlorothiophen-3-yl)methyl]ethanamine?
The InChIKey is JLEUSNCRMSETIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNS/c1-2-9-4-6-3-7(8)10-5-6/h3,5,9H,2,4H2,1H3.
What are the key properties of N-[(5-chlorothiophen-3-yl)methyl]ethanamine?
N-[(5-chlorothiophen-3-yl)methyl]ethanamine has a molecular weight of 175.68 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 130992478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).