N-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine

C9H14ClNS2 — CID 62576712

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine
SMILESCCSCCNCc1ccc(Cl)s1
InChIInChI=1S/C9H14ClNS2/c1-2-12-6-5-11-7-8-3-4-9(10)13-8/h3-4,11H,2,5-7H2,1H3
InChIKeyNWKJSLWPICXTBQ-UHFFFAOYSA-N
MW235.80 g/mol
LogP3.24
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine

N-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine (PubChem CID 62576712) has the molecular formula C9H14ClNS2 and a molecular weight of 235.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine
PubChem CID62576712
Molecular FormulaC9H14ClNS2
Molecular Weight235.80 g/mol
Exact Mass235.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine
SMILESCCSCCNCc1ccc(Cl)s1
InChIInChI=1S/C9H14ClNS2/c1-2-12-6-5-11-7-8-3-4-9(10)13-8/h3-4,11H,2,5-7H2,1H3
InChIKeyNWKJSLWPICXTBQ-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butylsulfanyl-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 62578252
N-[(5-chlorothiophen-2-yl)methyl]-2-prop-2-enylsulfanylethanamine;hydrochloride
CID 115615198
N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 60690550
N-[(5-chlorothiophen-2-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 28580132
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 28565625
N-[(5-chlorothiophen-2-yl)methyl]-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106495878
N-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N'-propylethane-1,2-diamine
CID 62559997
N-[(5-chlorothiophen-2-yl)methyl]-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 62581043
N-[(5-chlorothiophen-2-yl)methyl]pent-3-yn-1-amine
CID 104806987
2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 65023787
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
CID 55092599

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine (CID 62576712) is N-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine is CCSCCNCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine?
The InChIKey is NWKJSLWPICXTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNS2/c1-2-12-6-5-11-7-8-3-4-9(10)13-8/h3-4,11H,2,5-7H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine has a molecular weight of 235.80 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine is sourced from PubChem (CID 62576712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).