1-propan-2-ylsulfanyl-4-thiophen-3-ylbutan-2-amine

C11H19NS2 — CID 65131707

IUPAC1-propan-2-ylsulfanyl-4-thiophen-3-ylbutan-2-amine
SMILESCC(C)SCC(N)CCc1ccsc1
InChIInChI=1S/C11H19NS2/c1-9(2)14-8-11(12)4-3-10-5-6-13-7-10/h5-7,9,11H,3-4,8,12H2,1-2H3
InChIKeyUMBCYIKWEGOUHH-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.15
Rot. Bonds6

About 1-propan-2-ylsulfanyl-4-thiophen-3-ylbutan-2-amine

1-propan-2-ylsulfanyl-4-thiophen-3-ylbutan-2-amine (PubChem CID 65131707) has the molecular formula C11H19NS2 and a molecular weight of 229.41 g/mol. Its IUPAC name is 1-propan-2-ylsulfanyl-4-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-propan-2-ylsulfanyl-4-thiophen-3-ylbutan-2-amine
PubChem CID65131707
Molecular FormulaC11H19NS2
Molecular Weight229.41 g/mol
Exact Mass229.10
IUPAC Name1-propan-2-ylsulfanyl-4-thiophen-3-ylbutan-2-amine
SMILESCC(C)SCC(N)CCc1ccsc1
InChIInChI=1S/C11H19NS2/c1-9(2)14-8-11(12)4-3-10-5-6-13-7-10/h5-7,9,11H,3-4,8,12H2,1-2H3
InChIKeyUMBCYIKWEGOUHH-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-thiophen-3-ylnonan-3-amine
CID 115857036
3-(5-bromohexyl)thiophene
CID 64506689
2-methyl-4-thiophen-3-ylbutanal
CID 64664525
1-(furan-2-yl)-5-thiophen-3-ylpentan-3-amine
CID 105147818
1-cyclopentyl-5-thiophen-3-ylpentan-3-amine
CID 115857138
N-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 65132227
1-(2-methylsulfanylphenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857234
2-amino-4-thiophen-3-ylbutanoic acid
CID 18951372
5-methyl-1-thiophen-3-ylhexane-3,4-diol
CID 103456568
4-amino-1-thiophen-3-ylheptan-3-ol
CID 83927744
1-(4-chlorophenoxy)-4-thiophen-3-ylbutan-2-amine
CID 105147757
1-(6-bicyclo[3.1.0]hexanyl)-3-thiophen-3-ylpropan-1-amine
CID 115856867

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfanyl-4-thiophen-3-ylbutan-2-amine?
The IUPAC name of 1-propan-2-ylsulfanyl-4-thiophen-3-ylbutan-2-amine (CID 65131707) is 1-propan-2-ylsulfanyl-4-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 1-propan-2-ylsulfanyl-4-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 1-propan-2-ylsulfanyl-4-thiophen-3-ylbutan-2-amine is CC(C)SCC(N)CCc1ccsc1.
What is the InChIKey of 1-propan-2-ylsulfanyl-4-thiophen-3-ylbutan-2-amine?
The InChIKey is UMBCYIKWEGOUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS2/c1-9(2)14-8-11(12)4-3-10-5-6-13-7-10/h5-7,9,11H,3-4,8,12H2,1-2H3.
What are the key properties of 1-propan-2-ylsulfanyl-4-thiophen-3-ylbutan-2-amine?
1-propan-2-ylsulfanyl-4-thiophen-3-ylbutan-2-amine has a molecular weight of 229.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfanyl-4-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 65131707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).