N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine

C10H16ClNS2 — CID 43432672

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
SMILESCSCCCNC(C)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClNS2/c1-8(12-6-3-7-13-2)9-4-5-10(11)14-9/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyFOJBHUDSJHKGFC-UHFFFAOYSA-N
MW249.83 g/mol
LogP3.81
Rot. Bonds6

About N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine (PubChem CID 43432672) has the molecular formula C10H16ClNS2 and a molecular weight of 249.83 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
PubChem CID43432672
Molecular FormulaC10H16ClNS2
Molecular Weight249.83 g/mol
Exact Mass249.04
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
SMILESCSCCCNC(C)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClNS2/c1-8(12-6-3-7-13-2)9-4-5-10(11)14-9/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyFOJBHUDSJHKGFC-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.83
LogP ≤ 53.81
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

3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 61473463
1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine
CID 80696138
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 60887972
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutan-1-amine
CID 114333254
5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid
CID 103243977
N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]propyl]methanesulfonamide
CID 113260011
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 61469472
3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide
CID 97353451
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
4-[1-(5-chlorothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide
CID 77032296
1-(5-chlorothiophen-2-yl)-N-(2-methylsulfanylethyl)propan-1-amine
CID 115706228

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine (CID 43432672) is N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine is CSCCCNC(C)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine?
The InChIKey is FOJBHUDSJHKGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNS2/c1-8(12-6-3-7-13-2)9-4-5-10(11)14-9/h4-5,8,12H,3,6-7H2,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine has a molecular weight of 249.83 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 43432672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).