N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylethanamine

C15H18ClNS2 — CID 114791964

IUPACN-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCSCc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C15H18ClNS2/c1-12(15-3-2-9-19-15)17-8-10-18-11-13-4-6-14(16)7-5-13/h2-7,9,12,17H,8,10-11H2,1H3
InChIKeyUXFRIFWWNFWMLJ-UHFFFAOYSA-N
MW311.90 g/mol
LogP4.99
Rot. Bonds7

About N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylethanamine

N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylethanamine (PubChem CID 114791964) has the molecular formula C15H18ClNS2 and a molecular weight of 311.90 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylethanamine
PubChem CID114791964
Molecular FormulaC15H18ClNS2
Molecular Weight311.90 g/mol
Exact Mass311.06
IUPAC NameN-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCSCc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C15H18ClNS2/c1-12(15-3-2-9-19-15)17-8-10-18-11-13-4-6-14(16)7-5-13/h2-7,9,12,17H,8,10-11H2,1H3
InChIKeyUXFRIFWWNFWMLJ-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 54.99
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-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylethanamine
CID 103289964
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-(furan-2-yl)ethanamine
CID 115707739
N-(2-prop-2-enylsulfanylethyl)-1-thiophen-2-ylethanamine
CID 115889063
N-[2-(3-methoxypropylsulfanyl)ethyl]-1-thiophen-2-ylethanamine
CID 63856707
1-thiophen-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 115710733
(1S)-1-thiophen-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891288
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683372
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81408503
1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398782

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylethanamine (CID 114791964) is N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylethanamine is CC(NCCSCc1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is UXFRIFWWNFWMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS2/c1-12(15-3-2-9-19-15)17-8-10-18-11-13-4-6-14(16)7-5-13/h2-7,9,12,17H,8,10-11H2,1H3.
What are the key properties of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylethanamine?
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 311.90 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 114791964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).