N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide

C11H21NO2S — CID 90522931

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide
SMILESCSCC(C)(O)CNC(=O)C1CCCC1
InChIInChI=1S/C11H21NO2S/c1-11(14,8-15-2)7-12-10(13)9-5-3-4-6-9/h9,14H,3-8H2,1-2H3,(H,12,13)
InChIKeyWSTCTOJNELRCBV-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.41
Rot. Bonds5

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide (PubChem CID 90522931) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide
PubChem CID90522931
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide
SMILESCSCC(C)(O)CNC(=O)C1CCCC1
InChIInChI=1S/C11H21NO2S/c1-11(14,8-15-2)7-12-10(13)9-5-3-4-6-9/h9,14H,3-8H2,1-2H3,(H,12,13)
InChIKeyWSTCTOJNELRCBV-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.41
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-methylpropyl)cyclohexanecarboxamide
CID 65109688
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropanecarboxamide
CID 71787256
1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 71787244
N'-cyclopentyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
CID 90523164
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]cyclooctanecarboxamide
CID 103840050
3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173795
N-(2-cyclopropyl-2-hydroxypropyl)cyclohexanecarboxamide
CID 90499250
N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide
CID 103772299
N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide
CID 153313338
N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide
CID 103772539
N-(2-cyclopropyl-2-hydroxypropyl)cyclobutanecarboxamide
CID 90499246

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide (CID 90522931) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide is CSCC(C)(O)CNC(=O)C1CCCC1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide?
The InChIKey is WSTCTOJNELRCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-11(14,8-15-2)7-12-10(13)9-5-3-4-6-9/h9,14H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide has a molecular weight of 231.36 g/mol, XLogP of 1.41, 5 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-3-methylsulfanylpropyl)cyclopentanecarboxamide is sourced from PubChem (CID 90522931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).