N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-thiophen-2-ylcyclopropane-1-carboxamide

C13H19NO2S2 — CID 90523066

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCSCC(C)(O)CNC(=O)C1(c2cccs2)CC1
InChIInChI=1S/C13H19NO2S2/c1-12(16,9-17-2)8-14-11(15)13(5-6-13)10-4-3-7-18-10/h3-4,7,16H,5-6,8-9H2,1-2H3,(H,14,15)
InChIKeyKXDDFQCHKXICAQ-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.01
Rot. Bonds6

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-thiophen-2-ylcyclopropane-1-carboxamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 90523066) has the molecular formula C13H19NO2S2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID90523066
Molecular FormulaC13H19NO2S2
Molecular Weight285.43 g/mol
Exact Mass285.09
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCSCC(C)(O)CNC(=O)C1(c2cccs2)CC1
InChIInChI=1S/C13H19NO2S2/c1-12(16,9-17-2)8-14-11(15)13(5-6-13)10-4-3-7-18-10/h3-4,7,16H,5-6,8-9H2,1-2H3,(H,14,15)
InChIKeyKXDDFQCHKXICAQ-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 126850489
N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 99872633
N',N'-dimethyl-1-thiophen-2-ylcyclopropane-1-carbohydrazide
CID 116848288
N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 119642271
N-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698443
(E)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-thiophen-2-ylprop-2-enamide
CID 90522962
1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 111438387
3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 106244209
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide
CID 90522939
2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone
CID 46913895
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 90598067
N-pyrimidin-2-yl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698477

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-thiophen-2-ylcyclopropane-1-carboxamide (CID 90523066) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-thiophen-2-ylcyclopropane-1-carboxamide is CSCC(C)(O)CNC(=O)C1(c2cccs2)CC1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is KXDDFQCHKXICAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S2/c1-12(16,9-17-2)8-14-11(15)13(5-6-13)10-4-3-7-18-10/h3-4,7,16H,5-6,8-9H2,1-2H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-thiophen-2-ylcyclopropane-1-carboxamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 285.43 g/mol, XLogP of 2.01, 6 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-3-methylsulfanylpropyl)-1-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 90523066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).