N-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine

C12H21NS2 — CID 79987744

IUPACN-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CSCC)c1sccc1C
InChIInChI=1S/C12H21NS2/c1-4-7-13-11(9-14-5-2)12-10(3)6-8-15-12/h6,8,11,13H,4-5,7,9H2,1-3H3
InChIKeyKXTBVOXFLNBAHV-UHFFFAOYSA-N
MW243.44 g/mol
LogP3.85
Rot. Bonds7

About N-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine

N-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine (PubChem CID 79987744) has the molecular formula C12H21NS2 and a molecular weight of 243.44 g/mol. Its IUPAC name is N-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
PubChem CID79987744
Molecular FormulaC12H21NS2
Molecular Weight243.44 g/mol
Exact Mass243.11
IUPAC NameN-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CSCC)c1sccc1C
InChIInChI=1S/C12H21NS2/c1-4-7-13-11(9-14-5-2)12-10(3)6-8-15-12/h6,8,11,13H,4-5,7,9H2,1-3H3
InChIKeyKXTBVOXFLNBAHV-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 107359767
N-[1-(3-chlorothiophen-2-yl)-2-propylsulfanylethyl]propan-1-amine
CID 107359771
4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 79989421
N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115863501
5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine
CID 105023949
N-[1-(3-methylthiophen-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 115844177
1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine
CID 107359766
1-(3-methylthiophen-2-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105166519
N-[2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115821369
N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495885
N-[2-(2-chloro-5-fluorophenyl)-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 102622832
N-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine
CID 65127726

Frequently Asked Questions

What is the IUPAC name of N-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine (CID 79987744) is N-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine is CCCNC(CSCC)c1sccc1C.
What is the InChIKey of N-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is KXTBVOXFLNBAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS2/c1-4-7-13-11(9-14-5-2)12-10(3)6-8-15-12/h6,8,11,13H,4-5,7,9H2,1-3H3.
What are the key properties of N-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine?
N-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 243.44 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79987744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).