N-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine

C14H23NS2 — CID 80626191

IUPACN-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)C1CCCCS1
InChIInChI=1S/C14H23NS2/c1-2-7-15-13(10-12-6-9-16-11-12)14-5-3-4-8-17-14/h6,9,11,13-15H,2-5,7-8,10H2,1H3
InChIKeyFNHKIBFOSSLSCS-UHFFFAOYSA-N
MW269.48 g/mol
LogP3.94
Rot. Bonds6

About N-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine

N-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine (PubChem CID 80626191) has the molecular formula C14H23NS2 and a molecular weight of 269.48 g/mol. Its IUPAC name is N-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
PubChem CID80626191
Molecular FormulaC14H23NS2
Molecular Weight269.48 g/mol
Exact Mass269.13
IUPAC NameN-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)C1CCCCS1
InChIInChI=1S/C14H23NS2/c1-2-7-15-13(10-12-6-9-16-11-12)14-5-3-4-8-17-14/h6,9,11,13-15H,2-5,7-8,10H2,1H3
InChIKeyFNHKIBFOSSLSCS-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethylphenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80626607
N-[2-(4-ethylphenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627216
N-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105151192
N-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 80626936
N-[2-(3-chloro-4-fluorophenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 103040343
N-[1-(thian-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 80626828
N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62907430
N-[2-(2,4-dichlorophenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80626945
N-[2-(2,5-difluorophenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80626944
N-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 115998337
N-[2-(1-methylpyrazol-4-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627528
N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105137544

Frequently Asked Questions

What is the IUPAC name of N-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine (CID 80626191) is N-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccsc1)C1CCCCS1.
What is the InChIKey of N-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is FNHKIBFOSSLSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS2/c1-2-7-15-13(10-12-6-9-16-11-12)14-5-3-4-8-17-14/h6,9,11,13-15H,2-5,7-8,10H2,1H3.
What are the key properties of N-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
N-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 80626191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).