1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine

C13H21NS2 — CID 63115022

IUPAC1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccsc1C(SC1CCCC1)C(C)N
InChIInChI=1S/C13H21NS2/c1-9-7-8-15-12(9)13(10(2)14)16-11-5-3-4-6-11/h7-8,10-11,13H,3-6,14H2,1-2H3
InChIKeyOQVLCAHKFFRDKR-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.12
Rot. Bonds4

About 1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine

1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine (PubChem CID 63115022) has the molecular formula C13H21NS2 and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine
PubChem CID63115022
Molecular FormulaC13H21NS2
Molecular Weight255.45 g/mol
Exact Mass255.11
IUPAC Name1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccsc1C(SC1CCCC1)C(C)N
InChIInChI=1S/C13H21NS2/c1-9-7-8-15-12(9)13(10(2)14)16-11-5-3-4-6-11/h7-8,10-11,13H,3-6,14H2,1-2H3
InChIKeyOQVLCAHKFFRDKR-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine?
The IUPAC name of 1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine (CID 63115022) is 1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine is Cc1ccsc1C(SC1CCCC1)C(C)N.
What is the InChIKey of 1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine?
The InChIKey is OQVLCAHKFFRDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS2/c1-9-7-8-15-12(9)13(10(2)14)16-11-5-3-4-6-11/h7-8,10-11,13H,3-6,14H2,1-2H3.
What are the key properties of 1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine?
1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine has a molecular weight of 255.45 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 63115022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).