N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide

C6H11NO4S — CID 42083098

IUPACN-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C6H11NO4S/c1-4(8)7-5-2-12(10,11)3-6(5)9/h5-6,9H,2-3H2,1H3,(H,7,8)/t5-,6-/m1/s1
InChIKeyWMFNUYNAMATQKC-PHDIDXHHSA-N
MW193.22 g/mol
LogP-1.72
Rot. Bonds1

About N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide

N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 42083098) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide
PubChem CID42083098
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC NameN-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C6H11NO4S/c1-4(8)7-5-2-12(10,11)3-6(5)9/h5-6,9H,2-3H2,1H3,(H,7,8)/t5-,6-/m1/s1
InChIKeyWMFNUYNAMATQKC-PHDIDXHHSA-N
XLogP-1.72
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-Hydroxyethyl)amino]tetrahydrothiophene-3-ol 1,1-dioxide
CID 3093516
4-(3-Hydroxy-propylamino)-1,1-dioxo-tetrahydro-thiophen-3-ol
CID 653668
1,1-Dioxo-4-(propan-2-ylamino)thiolan-3-ol
CID 2829778
Sbb015208
CID 2772235
3-Acetamido-2-hydroxytetrahydrothiophene
CID 194471
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103730688
N-(3,3-difluoro-2-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 103770462
4-[[(2S)-1-fluoropropan-2-yl]amino]-1,1-dioxothiolan-3-ol
CID 131208957
3-Hydroxy-4-((2-methoxyethyl)amino)tetrahydrothiophene 1,1-dioxide
CID 3144944
N-cyclopentyl-2-(3-hydroxybutan-2-ylsulfonyl)acetamide
CID 72119318
N-[(3S,4R)-4-hydroxythiolan-3-yl]acetamide
CID 12201416
trans-4-(Methylamino)tetrahydrothiophene-3-ol 1,1-dioxide
CID 7059075

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide (CID 42083098) is N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide is CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O.
What is the InChIKey of N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is WMFNUYNAMATQKC-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-4(8)7-5-2-12(10,11)3-6(5)9/h5-6,9H,2-3H2,1H3,(H,7,8)/t5-,6-/m1/s1.
What are the key properties of N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide?
N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 193.22 g/mol, XLogP of -1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 42083098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).