N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine

C13H23NS2 — CID 107757303

IUPACN-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine
SMILESCC(C)C(C)SCCNCCc1ccsc1
InChIInChI=1S/C13H23NS2/c1-11(2)12(3)16-9-7-14-6-4-13-5-8-15-10-13/h5,8,10-12,14H,4,6-7,9H2,1-3H3
InChIKeyZDZGZGAXPZHLNW-UHFFFAOYSA-N
MW257.47 g/mol
LogP3.66
Rot. Bonds8

About N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine

N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine (PubChem CID 107757303) has the molecular formula C13H23NS2 and a molecular weight of 257.47 g/mol. Its IUPAC name is N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine
PubChem CID107757303
Molecular FormulaC13H23NS2
Molecular Weight257.47 g/mol
Exact Mass257.13
IUPAC NameN-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine
SMILESCC(C)C(C)SCCNCCc1ccsc1
InChIInChI=1S/C13H23NS2/c1-11(2)12(3)16-9-7-14-6-4-13-5-8-15-10-13/h5,8,10-12,14H,4,6-7,9H2,1-3H3
InChIKeyZDZGZGAXPZHLNW-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine with MolForge

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Related Compounds

N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890
N-(2-thiophen-3-ylethyl)decan-1-amine
CID 55194660
N-[2-(4-tert-butylphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine
CID 63515463
N-[2-(4-methylpentoxy)ethyl]-2-thiophen-3-ylethanamine
CID 62598298
N'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62560168
2-thiophen-3-yl-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine
CID 65041526
4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol
CID 107152319
(2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol
CID 79249026
2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride
CID 119288925
4-[3-(2-thiophen-3-ylethylamino)butyl]phenol
CID 61475292
N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62575390

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine (CID 107757303) is N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine is CC(C)C(C)SCCNCCc1ccsc1.
What is the InChIKey of N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine?
The InChIKey is ZDZGZGAXPZHLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS2/c1-11(2)12(3)16-9-7-14-6-4-13-5-8-15-10-13/h5,8,10-12,14H,4,6-7,9H2,1-3H3.
What are the key properties of N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine?
N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine has a molecular weight of 257.47 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 107757303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).