N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

C16H25NO2S2 — CID 71787315

IUPACN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCSCCC(C)(O)CNC(=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C16H25NO2S2/c1-15(19,9-11-20-2)12-17-14(18)16(7-3-4-8-16)13-6-5-10-21-13/h5-6,10,19H,3-4,7-9,11-12H2,1-2H3,(H,17,18)
InChIKeyLNPCIBBZIDEUEG-UHFFFAOYSA-N
MW327.52 g/mol
LogP3.18
Rot. Bonds7

About N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 71787315) has the molecular formula C16H25NO2S2 and a molecular weight of 327.52 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID71787315
Molecular FormulaC16H25NO2S2
Molecular Weight327.52 g/mol
Exact Mass327.13
IUPAC NameN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCSCCC(C)(O)CNC(=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C16H25NO2S2/c1-15(19,9-11-20-2)12-17-14(18)16(7-3-4-8-16)13-6-5-10-21-13/h5-6,10,19H,3-4,7-9,11-12H2,1-2H3,(H,17,18)
InChIKeyLNPCIBBZIDEUEG-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 71787315) is N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is CSCCC(C)(O)CNC(=O)C1(c2cccs2)CCCC1.
What is the InChIKey of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is LNPCIBBZIDEUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S2/c1-15(19,9-11-20-2)12-17-14(18)16(7-3-4-8-16)13-6-5-10-21-13/h5-6,10,19H,3-4,7-9,11-12H2,1-2H3,(H,17,18).
What are the key properties of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 327.52 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 71787315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).