N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine

C10H17NS2 — CID 63993484

IUPACN-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine
SMILESCSCCNC(C)c1sccc1C
InChIInChI=1S/C10H17NS2/c1-8-4-6-13-10(8)9(2)11-5-7-12-3/h4,6,9,11H,5,7H2,1-3H3
InChIKeySMTSZIFSMNBMEE-UHFFFAOYSA-N
MW215.39 g/mol
LogP3.07
Rot. Bonds5

About N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine

N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 63993484) has the molecular formula C10H17NS2 and a molecular weight of 215.39 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID63993484
Molecular FormulaC10H17NS2
Molecular Weight215.39 g/mol
Exact Mass215.08
IUPAC NameN-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine
SMILESCSCCNC(C)c1sccc1C
InChIInChI=1S/C10H17NS2/c1-8-4-6-13-10(8)9(2)11-5-7-12-3/h4,6,9,11H,5,7H2,1-3H3
InChIKeySMTSZIFSMNBMEE-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.39
LogP ≤ 53.07
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

1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981561
N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 115729271
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol
CID 64912799
N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 63992889
7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine
CID 63991434
(E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine
CID 115890210
4-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 63992497
4-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 95310819
5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine
CID 115714840
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 107269867
2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine
CID 114615575

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine (CID 63993484) is N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine is CSCCNC(C)c1sccc1C.
What is the InChIKey of N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is SMTSZIFSMNBMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS2/c1-8-4-6-13-10(8)9(2)11-5-7-12-3/h4,6,9,11H,5,7H2,1-3H3.
What are the key properties of N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine?
N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 215.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 63993484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).