N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methyloxolane-2-carboxamide

C11H21NO3S — CID 103801459

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methyloxolane-2-carboxamide
SMILESCSC(CO)C(C)NC(=O)C1OCCC1C
InChIInChI=1S/C11H21NO3S/c1-7-4-5-15-10(7)11(14)12-8(2)9(6-13)16-3/h7-10,13H,4-6H2,1-3H3,(H,12,14)
InChIKeyQMLPCYNZRBDITK-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.64
Rot. Bonds5

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methyloxolane-2-carboxamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methyloxolane-2-carboxamide (PubChem CID 103801459) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methyloxolane-2-carboxamide
PubChem CID103801459
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methyloxolane-2-carboxamide
SMILESCSC(CO)C(C)NC(=O)C1OCCC1C
InChIInChI=1S/C11H21NO3S/c1-7-4-5-15-10(7)11(14)12-8(2)9(6-13)16-3/h7-10,13H,4-6H2,1-3H3,(H,12,14)
InChIKeyQMLPCYNZRBDITK-UHFFFAOYSA-N
XLogP0.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methylsulfanyl-2-(oxolane-2-carbonylamino)butanoic acid
CID 16778209
(2R)-4-methylsulfanyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
CID 30054302
(2S)-4-methylsulfanyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
CID 30054307
(2R)-4-methylsulfanyl-2-[[(2R)-oxolane-2-carbonyl]amino]butanoic acid
CID 30054312
(2S)-4-methylsulfanyl-2-[[(2R)-oxolane-2-carbonyl]amino]butanoic acid
CID 30054317
(2S)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxolane-2-carboxamide
CID 39240431
(2R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxolane-2-carboxamide
CID 39240435
N-(3-ethyl-2-hydroxypentyl)oxolane-2-carboxamide
CID 60297793
(2S)-4-methylsulfanyl-2-(oxolane-2-carbonylamino)butanoic acid
CID 61152540
N-(1-hydroxy-4-methylpentan-2-yl)oxolane-2-carboxamide
CID 61247051
N-(4-ethylsulfanylbutan-2-yl)oxolane-2-carboxamide
CID 71993246
N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide
CID 79023824

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methyloxolane-2-carboxamide (CID 103801459) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methyloxolane-2-carboxamide is CSC(CO)C(C)NC(=O)C1OCCC1C.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methyloxolane-2-carboxamide?
The InChIKey is QMLPCYNZRBDITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-7-4-5-15-10(7)11(14)12-8(2)9(6-13)16-3/h7-10,13H,4-6H2,1-3H3,(H,12,14).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methyloxolane-2-carboxamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methyloxolane-2-carboxamide has a molecular weight of 247.36 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 103801459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).