N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropanecarboxamide

C10H19NO2S — CID 71787256

IUPACN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropanecarboxamide
SMILESCSCCC(C)(O)CNC(=O)C1CC1
InChIInChI=1S/C10H19NO2S/c1-10(13,5-6-14-2)7-11-9(12)8-3-4-8/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyNYHMTVGMUGTVBD-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.02
Rot. Bonds6

About N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropanecarboxamide

N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropanecarboxamide (PubChem CID 71787256) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropanecarboxamide
PubChem CID71787256
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropanecarboxamide
SMILESCSCCC(C)(O)CNC(=O)C1CC1
InChIInChI=1S/C10H19NO2S/c1-10(13,5-6-14-2)7-11-9(12)8-3-4-8/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyNYHMTVGMUGTVBD-UHFFFAOYSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]cyclopentanecarboxamide
CID 95984261
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide
CID 90522931
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-N'-(2,2,2-trifluoroethyl)oxamide
CID 71787397
1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)urea
CID 71787402
N-(2-hydroxy-2-propylpentyl)cyclopropanecarboxamide
CID 111444767
N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide
CID 123444332
2-chloro-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide
CID 95984298
N-(2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
CID 65109688
4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 79527583
N-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide
CID 106254571
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]cyclooctanecarboxamide
CID 103840050
N-(2,2-dimethylpropyl)-4-(methylamino)cyclohexane-1-carboxamide
CID 115150663

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropanecarboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropanecarboxamide (CID 71787256) is N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropanecarboxamide is CSCCC(C)(O)CNC(=O)C1CC1.
What is the InChIKey of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropanecarboxamide?
The InChIKey is NYHMTVGMUGTVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-10(13,5-6-14-2)7-11-9(12)8-3-4-8/h8,13H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropanecarboxamide?
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropanecarboxamide has a molecular weight of 217.33 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropanecarboxamide is sourced from PubChem (CID 71787256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).