N-(2-hydroxy-2,3-dimethylpentyl)thiolane-2-carboxamide

C12H23NO2S — CID 111477877

IUPACN-(2-hydroxy-2,3-dimethylpentyl)thiolane-2-carboxamide
SMILESCCC(C)C(C)(O)CNC(=O)C1CCCS1
InChIInChI=1S/C12H23NO2S/c1-4-9(2)12(3,15)8-13-11(14)10-6-5-7-16-10/h9-10,15H,4-8H2,1-3H3,(H,13,14)
InChIKeyGSJRPUGQAAFIRS-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.80
Rot. Bonds5

About N-(2-hydroxy-2,3-dimethylpentyl)thiolane-2-carboxamide

N-(2-hydroxy-2,3-dimethylpentyl)thiolane-2-carboxamide (PubChem CID 111477877) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylpentyl)thiolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylpentyl)thiolane-2-carboxamide
PubChem CID111477877
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-(2-hydroxy-2,3-dimethylpentyl)thiolane-2-carboxamide
SMILESCCC(C)C(C)(O)CNC(=O)C1CCCS1
InChIInChI=1S/C12H23NO2S/c1-4-9(2)12(3,15)8-13-11(14)10-6-5-7-16-10/h9-10,15H,4-8H2,1-3H3,(H,13,14)
InChIKeyGSJRPUGQAAFIRS-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,3-dimethylpentyl)cyclopentanecarboxamide
CID 111463685
N-(2-hydroxy-2-methylbutyl)thiane-2-carboxamide
CID 80595877
(3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide
CID 129428756
3-hydroxy-3-methyl-4-(thiane-2-carbonylamino)butanoic acid
CID 80594769
N-[3-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111477872
N-(2-hydroxy-2,3-dimethylpentyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 111463611
N-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 111478031
1-(2-hydroxy-2,3-dimethylpentyl)-3-(3,3,3-trifluoropropyl)urea
CID 111509227
N-(3-chlorobutyl)thiolane-2-carboxamide
CID 114302010
3-[(thiolane-2-carbonylamino)methyl]pentanoic acid
CID 81066125
N-tert-butylthiolane-2-carboxamide
CID 64590756
1-(2-hydroxy-2,3-dimethylpentyl)-3-pentan-3-ylurea
CID 111120801

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)thiolane-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)thiolane-2-carboxamide (CID 111477877) is N-(2-hydroxy-2,3-dimethylpentyl)thiolane-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylpentyl)thiolane-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylpentyl)thiolane-2-carboxamide is CCC(C)C(C)(O)CNC(=O)C1CCCS1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylpentyl)thiolane-2-carboxamide?
The InChIKey is GSJRPUGQAAFIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-4-9(2)12(3,15)8-13-11(14)10-6-5-7-16-10/h9-10,15H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-(2-hydroxy-2,3-dimethylpentyl)thiolane-2-carboxamide?
N-(2-hydroxy-2,3-dimethylpentyl)thiolane-2-carboxamide has a molecular weight of 245.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylpentyl)thiolane-2-carboxamide is sourced from PubChem (CID 111477877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).