N-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pentanamide

C14H22N2OS — CID 67666901

IUPACN-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc(CN2CCCC2)s1
InChIInChI=1S/C14H22N2OS/c1-2-3-6-13(17)15-14-8-7-12(18-14)11-16-9-4-5-10-16/h7-8H,2-6,9-11H2,1H3,(H,15,17)
InChIKeyPVULPTWGQJQGQJ-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.47
Rot. Bonds6

About N-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pentanamide

N-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pentanamide (PubChem CID 67666901) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pentanamide.

Molecular Properties

Compound NameN-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pentanamide
PubChem CID67666901
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc(CN2CCCC2)s1
InChIInChI=1S/C14H22N2OS/c1-2-3-6-13(17)15-14-8-7-12(18-14)11-16-9-4-5-10-16/h7-8H,2-6,9-11H2,1H3,(H,15,17)
InChIKeyPVULPTWGQJQGQJ-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pentanamide?
The IUPAC name of N-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pentanamide (CID 67666901) is N-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pentanamide.
What is the SMILES notation for N-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pentanamide?
The canonical SMILES for N-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pentanamide is CCCCC(=O)Nc1ccc(CN2CCCC2)s1.
What is the InChIKey of N-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pentanamide?
The InChIKey is PVULPTWGQJQGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-2-3-6-13(17)15-14-8-7-12(18-14)11-16-9-4-5-10-16/h7-8H,2-6,9-11H2,1H3,(H,15,17).
What are the key properties of N-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pentanamide?
N-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pentanamide has a molecular weight of 266.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pentanamide is sourced from PubChem (CID 67666901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).