1-(2-thiophen-2-ylethylsulfanyl)butan-2-amine

C10H17NS2 — CID 66231037

IUPAC1-(2-thiophen-2-ylethylsulfanyl)butan-2-amine
SMILESCCC(N)CSCCc1cccs1
InChIInChI=1S/C10H17NS2/c1-2-9(11)8-12-7-5-10-4-3-6-13-10/h3-4,6,9H,2,5,7-8,11H2,1H3
InChIKeyIIEVOMPPXNISJE-UHFFFAOYSA-N
MW215.39 g/mol
LogP2.76
Rot. Bonds6

About 1-(2-thiophen-2-ylethylsulfanyl)butan-2-amine

1-(2-thiophen-2-ylethylsulfanyl)butan-2-amine (PubChem CID 66231037) has the molecular formula C10H17NS2 and a molecular weight of 215.39 g/mol. Its IUPAC name is 1-(2-thiophen-2-ylethylsulfanyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-thiophen-2-ylethylsulfanyl)butan-2-amine
PubChem CID66231037
Molecular FormulaC10H17NS2
Molecular Weight215.39 g/mol
Exact Mass215.08
IUPAC Name1-(2-thiophen-2-ylethylsulfanyl)butan-2-amine
SMILESCCC(N)CSCCc1cccs1
InChIInChI=1S/C10H17NS2/c1-2-9(11)8-12-7-5-10-4-3-6-13-10/h3-4,6,9H,2,5,7-8,11H2,1H3
InChIKeyIIEVOMPPXNISJE-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.39
LogP ≤ 52.76
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

7-thiophen-2-ylheptan-3-amine
CID 64505571
2-(2-thiophen-2-ylethylsulfanyl)ethanamine
CID 19018756
1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 43649767
3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599
(2R)-2-acetamido-3-(2-thiophen-2-ylethylsulfanyl)propanoic acid
CID 107774768
N-ethyl-1-propylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128746
1-(thiophen-2-ylmethylsulfanyl)propan-2-amine
CID 66217000
N-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine
CID 62577565
2-[3-(bromomethyl)pentyl]thiophene
CID 66043053
2-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63774088
1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-amine
CID 66230325
2-butylthiophene;methanamine
CID 143080300

Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-2-ylethylsulfanyl)butan-2-amine?
The IUPAC name of 1-(2-thiophen-2-ylethylsulfanyl)butan-2-amine (CID 66231037) is 1-(2-thiophen-2-ylethylsulfanyl)butan-2-amine.
What is the SMILES notation for 1-(2-thiophen-2-ylethylsulfanyl)butan-2-amine?
The canonical SMILES for 1-(2-thiophen-2-ylethylsulfanyl)butan-2-amine is CCC(N)CSCCc1cccs1.
What is the InChIKey of 1-(2-thiophen-2-ylethylsulfanyl)butan-2-amine?
The InChIKey is IIEVOMPPXNISJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS2/c1-2-9(11)8-12-7-5-10-4-3-6-13-10/h3-4,6,9H,2,5,7-8,11H2,1H3.
What are the key properties of 1-(2-thiophen-2-ylethylsulfanyl)butan-2-amine?
1-(2-thiophen-2-ylethylsulfanyl)butan-2-amine has a molecular weight of 215.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-2-ylethylsulfanyl)butan-2-amine is sourced from PubChem (CID 66231037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).