2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide

C11H21NO4S3 — CID 103798941

IUPAC2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
SMILESCSC(CO)C(C)NC(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO4S3/c1-8(10(5-13)17-2)12-11(14)6-18-9-3-4-19(15,16)7-9/h8-10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyGWBOBQROIGELAL-UHFFFAOYSA-N
MW327.49 g/mol
LogP0.14
Rot. Bonds7

About 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide (PubChem CID 103798941) has the molecular formula C11H21NO4S3 and a molecular weight of 327.49 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
PubChem CID103798941
Molecular FormulaC11H21NO4S3
Molecular Weight327.49 g/mol
Exact Mass327.06
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
SMILESCSC(CO)C(C)NC(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO4S3/c1-8(10(5-13)17-2)12-11(14)6-18-9-3-4-19(15,16)7-9/h8-10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyGWBOBQROIGELAL-UHFFFAOYSA-N
XLogP0.14
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 104858001
N-cyclopentyl-2-(3-hydroxybutan-2-ylsulfonyl)acetamide
CID 72119318
N-(4-Hydroxy-1,1-dioxo-1lambda6-thiolan-3-yl)acetamide
CID 10058434
N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide
CID 42083098
N-[(3S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide
CID 89078685
N-[4-(4-acetamido-2-hydroxybutyl)sulfonyl-3-hydroxybutyl]acetamide
CID 139727224
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)acetamide
CID 9373093
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)acetamide
CID 9373094
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)propanamide
CID 9373102
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)propanamide
CID 9373103
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)propanamide
CID 9373104
N-(4-Hydroxy-1,1-dioxo-1lambda6-thiolan-3-yl)propanamide
CID 24284482

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide (CID 103798941) is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide is CSC(CO)C(C)NC(=O)CSC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The InChIKey is GWBOBQROIGELAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S3/c1-8(10(5-13)17-2)12-11(14)6-18-9-3-4-19(15,16)7-9/h8-10,13H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide has a molecular weight of 327.49 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 103798941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).