1-(5-chlorothiophen-2-yl)-N-(2-methylsulfanylethyl)propan-1-amine

C10H16ClNS2 — CID 115706228

IUPAC1-(5-chlorothiophen-2-yl)-N-(2-methylsulfanylethyl)propan-1-amine
SMILESCCC(NCCSC)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClNS2/c1-3-8(12-6-7-13-2)9-4-5-10(11)14-9/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyAFWBJOXINKRHOG-UHFFFAOYSA-N
MW249.83 g/mol
LogP3.81
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-N-(2-methylsulfanylethyl)propan-1-amine

1-(5-chlorothiophen-2-yl)-N-(2-methylsulfanylethyl)propan-1-amine (PubChem CID 115706228) has the molecular formula C10H16ClNS2 and a molecular weight of 249.83 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-(2-methylsulfanylethyl)propan-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-(2-methylsulfanylethyl)propan-1-amine
PubChem CID115706228
Molecular FormulaC10H16ClNS2
Molecular Weight249.83 g/mol
Exact Mass249.04
IUPAC Name1-(5-chlorothiophen-2-yl)-N-(2-methylsulfanylethyl)propan-1-amine
SMILESCCC(NCCSC)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClNS2/c1-3-8(12-6-7-13-2)9-4-5-10(11)14-9/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyAFWBJOXINKRHOG-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

N-[1-(5-chlorothiophen-2-yl)propyl]-3-methylsulfanylbutan-1-amine
CID 115716203
N-[1-(5-chlorothiophen-2-yl)propyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115726040
2-[2-[1-(5-chlorothiophen-2-yl)propylamino]ethoxy]ethanol
CID 115707270
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43432672
1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine
CID 115713294
1-(5-chlorothiophen-2-yl)-N-(1,2-oxazol-3-ylmethyl)propan-1-amine
CID 115726395
1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine
CID 114201788
1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43492048
2-chloro-5-(1-chloropropyl)thiophene
CID 61086027
1-(5-chlorothiophen-2-yl)-5,5-dimethyl-N-propylhex-3-yn-1-amine
CID 114190643
1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine
CID 104986628
(2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide
CID 119324709

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(2-methylsulfanylethyl)propan-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(2-methylsulfanylethyl)propan-1-amine (CID 115706228) is 1-(5-chlorothiophen-2-yl)-N-(2-methylsulfanylethyl)propan-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-(2-methylsulfanylethyl)propan-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-(2-methylsulfanylethyl)propan-1-amine is CCC(NCCSC)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-(2-methylsulfanylethyl)propan-1-amine?
The InChIKey is AFWBJOXINKRHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNS2/c1-3-8(12-6-7-13-2)9-4-5-10(11)14-9/h4-5,8,12H,3,6-7H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-(2-methylsulfanylethyl)propan-1-amine?
1-(5-chlorothiophen-2-yl)-N-(2-methylsulfanylethyl)propan-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 1-(5-chlorothiophen-2-yl)-N-(2-methylsulfanylethyl)propan-1-amine is sourced from PubChem (CID 115706228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).