[(3S)-3-methyl-1,1-dioxothiolan-3-yl]urea

C6H12N2O3S — CID 7361045

IUPAC[(3S)-3-methyl-1,1-dioxothiolan-3-yl]urea
SMILESC[C@]1(NC(N)=O)CCS(=O)(=O)C1
InChIInChI=1S/C6H12N2O3S/c1-6(8-5(7)9)2-3-12(10,11)4-6/h2-4H2,1H3,(H3,7,8,9)/t6-/m0/s1
InChIKeyVUOXNZDJJQRCBS-LURJTMIESA-N
MW192.24 g/mol
LogP-0.77
Rot. Bonds1

About [(3S)-3-methyl-1,1-dioxothiolan-3-yl]urea

[(3S)-3-methyl-1,1-dioxothiolan-3-yl]urea (PubChem CID 7361045) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is [(3S)-3-methyl-1,1-dioxothiolan-3-yl]urea.

Molecular Properties

Compound Name[(3S)-3-methyl-1,1-dioxothiolan-3-yl]urea
PubChem CID7361045
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC Name[(3S)-3-methyl-1,1-dioxothiolan-3-yl]urea
SMILESC[C@]1(NC(N)=O)CCS(=O)(=O)C1
InChIInChI=1S/C6H12N2O3S/c1-6(8-5(7)9)2-3-12(10,11)4-6/h2-4H2,1H3,(H3,7,8,9)/t6-/m0/s1
InChIKeyVUOXNZDJJQRCBS-LURJTMIESA-N
XLogP-0.77
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Bis(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea
CID 3152345
1-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea
CID 3093523
1-Methyl-1-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea
CID 2831173
1-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]urea
CID 1869959
1-Amino-3-(3-methyl-1,1-dioxothiolan-3-yl)urea
CID 3283985
1-amino-3-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]urea
CID 7058901
1-amino-3-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]urea
CID 7058902
1,3-bis[(3R)-3-methyl-1,1-dioxothiolan-3-yl]urea
CID 7102190
1,3-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]urea
CID 7102191
1-methyl-1-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]urea
CID 7360588
1-methyl-1-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]urea
CID 7360589
[(3R)-3-methyl-1,1-dioxothiolan-3-yl]urea
CID 7361048

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methyl-1,1-dioxothiolan-3-yl]urea?
The IUPAC name of [(3S)-3-methyl-1,1-dioxothiolan-3-yl]urea (CID 7361045) is [(3S)-3-methyl-1,1-dioxothiolan-3-yl]urea.
What is the SMILES notation for [(3S)-3-methyl-1,1-dioxothiolan-3-yl]urea?
The canonical SMILES for [(3S)-3-methyl-1,1-dioxothiolan-3-yl]urea is C[C@]1(NC(N)=O)CCS(=O)(=O)C1.
What is the InChIKey of [(3S)-3-methyl-1,1-dioxothiolan-3-yl]urea?
The InChIKey is VUOXNZDJJQRCBS-LURJTMIESA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-6(8-5(7)9)2-3-12(10,11)4-6/h2-4H2,1H3,(H3,7,8,9)/t6-/m0/s1.
What are the key properties of [(3S)-3-methyl-1,1-dioxothiolan-3-yl]urea?
[(3S)-3-methyl-1,1-dioxothiolan-3-yl]urea has a molecular weight of 192.24 g/mol, XLogP of -0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methyl-1,1-dioxothiolan-3-yl]urea is sourced from PubChem (CID 7361045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).