1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3,3-dimethylurea

C9H18N2O3S — CID 7735641

IUPAC1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3,3-dimethylurea
SMILESCCN(C(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C9H18N2O3S/c1-4-11(9(12)10(2)3)8-5-6-15(13,14)7-8/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyOUGCBKYYHPRRRG-MRVPVSSYSA-N
MW234.32 g/mol
LogP0.18
Rot. Bonds2

About 1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3,3-dimethylurea

1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3,3-dimethylurea (PubChem CID 7735641) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3,3-dimethylurea.

Molecular Properties

Compound Name1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3,3-dimethylurea
PubChem CID7735641
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3,3-dimethylurea
SMILESCCN(C(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C9H18N2O3S/c1-4-11(9(12)10(2)3)8-5-6-15(13,14)7-8/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyOUGCBKYYHPRRRG-MRVPVSSYSA-N
XLogP0.18
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3,3-dimethylurea?
The IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3,3-dimethylurea (CID 7735641) is 1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3,3-dimethylurea.
What is the SMILES notation for 1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3,3-dimethylurea?
The canonical SMILES for 1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3,3-dimethylurea is CCN(C(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3,3-dimethylurea?
The InChIKey is OUGCBKYYHPRRRG-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-4-11(9(12)10(2)3)8-5-6-15(13,14)7-8/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of 1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3,3-dimethylurea?
1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3,3-dimethylurea has a molecular weight of 234.32 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3,3-dimethylurea is sourced from PubChem (CID 7735641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).