2-propyl-2-thiophen-3-ylpentanamide

C12H19NOS — CID 3056608

IUPAC2-propyl-2-thiophen-3-ylpentanamide
SMILESCCCC(CCC)(C(N)=O)c1ccsc1
InChIInChI=1S/C12H19NOS/c1-3-6-12(7-4-2,11(13)14)10-5-8-15-9-10/h5,8-9H,3-4,6-7H2,1-2H3,(H2,13,14)
InChIKeyBCTQRSHTACLZAN-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.07
Rot. Bonds6

About 2-propyl-2-thiophen-3-ylpentanamide

2-propyl-2-thiophen-3-ylpentanamide (PubChem CID 3056608) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-propyl-2-thiophen-3-ylpentanamide.

Molecular Properties

Compound Name2-propyl-2-thiophen-3-ylpentanamide
PubChem CID3056608
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-propyl-2-thiophen-3-ylpentanamide
SMILESCCCC(CCC)(C(N)=O)c1ccsc1
InChIInChI=1S/C12H19NOS/c1-3-6-12(7-4-2,11(13)14)10-5-8-15-9-10/h5,8-9H,3-4,6-7H2,1-2H3,(H2,13,14)
InChIKeyBCTQRSHTACLZAN-UHFFFAOYSA-N
XLogP3.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-thiophen-3-ylpentanamide?
The IUPAC name of 2-propyl-2-thiophen-3-ylpentanamide (CID 3056608) is 2-propyl-2-thiophen-3-ylpentanamide.
What is the SMILES notation for 2-propyl-2-thiophen-3-ylpentanamide?
The canonical SMILES for 2-propyl-2-thiophen-3-ylpentanamide is CCCC(CCC)(C(N)=O)c1ccsc1.
What is the InChIKey of 2-propyl-2-thiophen-3-ylpentanamide?
The InChIKey is BCTQRSHTACLZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-3-6-12(7-4-2,11(13)14)10-5-8-15-9-10/h5,8-9H,3-4,6-7H2,1-2H3,(H2,13,14).
What are the key properties of 2-propyl-2-thiophen-3-ylpentanamide?
2-propyl-2-thiophen-3-ylpentanamide has a molecular weight of 225.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-thiophen-3-ylpentanamide is sourced from PubChem (CID 3056608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).