N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine

C13H21NS2 — CID 115721776

IUPACN-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NC(C)c1cc2c(s1)CCC2
InChIInChI=1S/C13H21NS2/c1-9(8-15-3)14-10(2)13-7-11-5-4-6-12(11)16-13/h7,9-10,14H,4-6,8H2,1-3H3
InChIKeyYGTBSBRRIHSVOG-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.64
Rot. Bonds5

About N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine

N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine (PubChem CID 115721776) has the molecular formula C13H21NS2 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
PubChem CID115721776
Molecular FormulaC13H21NS2
Molecular Weight255.45 g/mol
Exact Mass255.11
IUPAC NameN-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NC(C)c1cc2c(s1)CCC2
InChIInChI=1S/C13H21NS2/c1-9(8-15-3)14-10(2)13-7-11-5-4-6-12(11)16-13/h7,9-10,14H,4-6,8H2,1-3H3
InChIKeyYGTBSBRRIHSVOG-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]-1-methylsulfanylpropan-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

1-N,1-N-dimethyl-2-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]propane-1,2-diamine
CID 82945568
1-methoxy-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]propan-2-amine
CID 81301050
(2R)-2-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethylamino]butan-1-ol
CID 103922540
(2R)-2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol
CID 103922417
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 20542326
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]butan-1-amine
CID 115704845
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115712995
4-methoxy-3-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol
CID 103785453
N-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]propan-1-amine
CID 115780103
2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]ethanol
CID 81302192
N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115869707
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 115726912

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine (CID 115721776) is N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine is CSCC(C)NC(C)c1cc2c(s1)CCC2.
What is the InChIKey of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine?
The InChIKey is YGTBSBRRIHSVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS2/c1-9(8-15-3)14-10(2)13-7-11-5-4-6-12(11)16-13/h7,9-10,14H,4-6,8H2,1-3H3.
What are the key properties of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine?
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine has a molecular weight of 255.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 115721776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).