N-(3-methylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

C15H23NOS — CID 42435315

IUPACN-(3-methylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCC(C)CCNC(=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C15H23NOS/c1-12(2)7-10-16-14(17)15(8-3-4-9-15)13-6-5-11-18-13/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,16,17)
InChIKeyYMZAYNMHXXTNKR-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.72
Rot. Bonds5

About N-(3-methylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

N-(3-methylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 42435315) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID42435315
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-(3-methylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCC(C)CCNC(=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C15H23NOS/c1-12(2)7-10-16-14(17)15(8-3-4-9-15)13-6-5-11-18-13/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,16,17)
InChIKeyYMZAYNMHXXTNKR-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 42435315) is N-(3-methylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is CC(C)CCNC(=O)C1(c2cccs2)CCCC1.
What is the InChIKey of N-(3-methylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is YMZAYNMHXXTNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-12(2)7-10-16-14(17)15(8-3-4-9-15)13-6-5-11-18-13/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,16,17).
What are the key properties of N-(3-methylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-(3-methylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 265.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 42435315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).