N-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine

C12H21NS2 — CID 62577565

IUPACN-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine
SMILESCC(C)CSCCNCCc1cccs1
InChIInChI=1S/C12H21NS2/c1-11(2)10-14-9-7-13-6-5-12-4-3-8-15-12/h3-4,8,11,13H,5-7,9-10H2,1-2H3
InChIKeyLCWDKSCGLLIGRA-UHFFFAOYSA-N
MW243.44 g/mol
LogP3.27
Rot. Bonds8

About N-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine

N-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine (PubChem CID 62577565) has the molecular formula C12H21NS2 and a molecular weight of 243.44 g/mol. Its IUPAC name is N-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine
PubChem CID62577565
Molecular FormulaC12H21NS2
Molecular Weight243.44 g/mol
Exact Mass243.11
IUPAC NameN-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine
SMILESCC(C)CSCCNCCc1cccs1
InChIInChI=1S/C12H21NS2/c1-11(2)10-14-9-7-13-6-5-12-4-3-8-15-12/h3-4,8,11,13H,5-7,9-10H2,1-2H3
InChIKeyLCWDKSCGLLIGRA-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 53.27
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

2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360
2-methyl-N-(2-thiophen-2-ylethyl)butan-1-amine
CID 43201407
3-methyl-1-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 115200758
N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-2-thiophen-2-ylethanamine
CID 107757361
1-(2-thiophen-2-ylethylamino)butan-2-ol
CID 13476299
2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol
CID 79361899
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113
N-(2-pyrimidin-2-ylsulfanylethyl)-2-thiophen-2-ylethanamine
CID 62578414
2,2-dimethyl-4-(2-thiophen-2-ylethylamino)butanenitrile
CID 65248968
N-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine
CID 60695389
N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63685883
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine (CID 62577565) is N-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine is CC(C)CSCCNCCc1cccs1.
What is the InChIKey of N-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine?
The InChIKey is LCWDKSCGLLIGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS2/c1-11(2)10-14-9-7-13-6-5-12-4-3-8-15-12/h3-4,8,11,13H,5-7,9-10H2,1-2H3.
What are the key properties of N-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine?
N-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine has a molecular weight of 243.44 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 62577565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).