2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine

C12H19NS2 — CID 79988031

IUPAC2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1C(N)CSC1CCCC1
InChIInChI=1S/C12H19NS2/c1-9-6-7-14-12(9)11(13)8-15-10-4-2-3-5-10/h6-7,10-11H,2-5,8,13H2,1H3
InChIKeyZZXHPYXQFBUPSZ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.73
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine

2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 79988031) has the molecular formula C12H19NS2 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID79988031
Molecular FormulaC12H19NS2
Molecular Weight241.42 g/mol
Exact Mass241.10
IUPAC Name2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1C(N)CSC1CCCC1
InChIInChI=1S/C12H19NS2/c1-9-6-7-14-12(9)11(13)8-15-10-4-2-3-5-10/h6-7,10-11H,2-5,8,13H2,1H3
InChIKeyZZXHPYXQFBUPSZ-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
1-(2-Thienyl)-1-aminoethane
CID 238233
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
2-Methyl-1-thiophen-2-yl-propylamine
CID 3159240
2-(Thiophen-2-yl)propan-2-amine
CID 45099
(3-Methylthiophen-2-yl)methanamine
CID 2798756
1-(Thiophen-2-yl)ethan-1-amine hydrochloride
CID 458573
(4-Methylthiophen-2-yl)methanamine
CID 2795528
4,5,6,7-Tetrahydro-1-benzothiophen-4-amine
CID 4216372
(2,5-Dimethylthiophen-3-yl)methanamine
CID 46784114
1-(Thiophen-3-yl)propan-2-amine
CID 13188564
4H,5H,6H-cyclopenta[b]thiophen-2-ylmethanamine
CID 24688589

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine (CID 79988031) is 2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine is Cc1ccsc1C(N)CSC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is ZZXHPYXQFBUPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS2/c1-9-6-7-14-12(9)11(13)8-15-10-4-2-3-5-10/h6-7,10-11H,2-5,8,13H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine?
2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 241.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 79988031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).