1-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-2-amine

C12H21NS2 — CID 115901716

IUPAC1-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-2-amine
SMILESCCC(CSC)NC(C)c1ccc(C)s1
InChIInChI=1S/C12H21NS2/c1-5-11(8-14-4)13-10(3)12-7-6-9(2)15-12/h6-7,10-11,13H,5,8H2,1-4H3
InChIKeyPIKGCEUNLLDSAR-UHFFFAOYSA-N
MW243.44 g/mol
LogP3.85
Rot. Bonds6

About 1-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-2-amine

1-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-2-amine (PubChem CID 115901716) has the molecular formula C12H21NS2 and a molecular weight of 243.44 g/mol. Its IUPAC name is 1-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name1-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-2-amine
PubChem CID115901716
Molecular FormulaC12H21NS2
Molecular Weight243.44 g/mol
Exact Mass243.11
IUPAC Name1-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-2-amine
SMILESCCC(CSC)NC(C)c1ccc(C)s1
InChIInChI=1S/C12H21NS2/c1-5-11(8-14-4)13-10(3)12-7-6-9(2)15-12/h6-7,10-11,13H,5,8H2,1-4H3
InChIKeyPIKGCEUNLLDSAR-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(1-methylsulfanylbutan-2-ylamino)ethyl]thiophene-2-carbonitrile
CID 115903739
2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 63983222
N-[1-(5-methylthiophen-2-yl)ethyl]nonan-2-amine
CID 63455141
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473499
3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 61473463
1-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 115901615
ethyl 2-[1-(5-methylthiophen-2-yl)ethylamino]butanoate
CID 64668783
2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115895530
N-[1-(4-chlorophenyl)ethyl]-1-methylsulfanylbutan-2-amine
CID 115899225
1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 63477674
4-methoxy-3-[1-(5-methylthiophen-2-yl)ethylamino]butan-1-ol
CID 115722580

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-2-amine?
The IUPAC name of 1-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-2-amine (CID 115901716) is 1-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-2-amine.
What is the SMILES notation for 1-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-2-amine?
The canonical SMILES for 1-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-2-amine is CCC(CSC)NC(C)c1ccc(C)s1.
What is the InChIKey of 1-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-2-amine?
The InChIKey is PIKGCEUNLLDSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS2/c1-5-11(8-14-4)13-10(3)12-7-6-9(2)15-12/h6-7,10-11,13H,5,8H2,1-4H3.
What are the key properties of 1-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-2-amine?
1-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-2-amine has a molecular weight of 243.44 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-2-amine is sourced from PubChem (CID 115901716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).