N-propan-2-yl-1-thiophen-2-ylcyclopentane-1-carboxamide

C13H19NOS — CID 42435524

IUPACN-propan-2-yl-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCC(C)NC(=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C13H19NOS/c1-10(2)14-12(15)13(7-3-4-8-13)11-6-5-9-16-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyHSZCDYDFXACCIT-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.08
Rot. Bonds3

About N-propan-2-yl-1-thiophen-2-ylcyclopentane-1-carboxamide

N-propan-2-yl-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 42435524) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-propan-2-yl-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID42435524
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-propan-2-yl-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCC(C)NC(=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C13H19NOS/c1-10(2)14-12(15)13(7-3-4-8-13)11-6-5-9-16-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyHSZCDYDFXACCIT-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-cyclohexyl-N-(2-thienylmethyl)propanamide
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N-Allyl-N-ethyl(1R,2R)-2-(Aminomethyl)-1-(2-thienyl)cyclopropanecarboxamide
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N-Ethyl-N-propargyl (1R,2R)-2-(Aminomethyl)-1-(2-thienyl)cyclopropanecarboxamide
CID 25150627
cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-(2-fluoroprop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 25150711
(1R,2R)-2-(aminomethyl)-N,N-diethyl-1-(thiophen-2-yl)cyclopropanecarboxamide
CID 44448582
Thiophene-2-carboxylic acid (2-cyclopentyl-ethyl)-amide
CID 774817
3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
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3,3-dimethyl-N-(2-thienylmethyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-propan-2-yl-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 42435524) is N-propan-2-yl-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-propan-2-yl-1-thiophen-2-ylcyclopentane-1-carboxamide is CC(C)NC(=O)C1(c2cccs2)CCCC1.
What is the InChIKey of N-propan-2-yl-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is HSZCDYDFXACCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10(2)14-12(15)13(7-3-4-8-13)11-6-5-9-16-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-propan-2-yl-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-propan-2-yl-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 237.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 42435524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).