1,3-dimethyl-1-(2-methylsulfinylethyl)urea

C6H14N2O2S — CID 131227779

IUPAC1,3-dimethyl-1-(2-methylsulfinylethyl)urea
SMILESCNC(=O)N(C)CCS(C)=O
InChIInChI=1S/C6H14N2O2S/c1-7-6(9)8(2)4-5-11(3)10/h4-5H2,1-3H3,(H,7,9)
InChIKeyLGFALNUHBJPWBL-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.36
Rot. Bonds3

About 1,3-dimethyl-1-(2-methylsulfinylethyl)urea

1,3-dimethyl-1-(2-methylsulfinylethyl)urea (PubChem CID 131227779) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 1,3-dimethyl-1-(2-methylsulfinylethyl)urea.

Molecular Properties

Compound Name1,3-dimethyl-1-(2-methylsulfinylethyl)urea
PubChem CID131227779
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name1,3-dimethyl-1-(2-methylsulfinylethyl)urea
SMILESCNC(=O)N(C)CCS(C)=O
InChIInChI=1S/C6H14N2O2S/c1-7-6(9)8(2)4-5-11(3)10/h4-5H2,1-3H3,(H,7,9)
InChIKeyLGFALNUHBJPWBL-UHFFFAOYSA-N
XLogP-0.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Dimethyl-1-(2-(methylsulfanyl)ethyl)urea
CID 115575774
3-(2-Tert-butylsulfinylethyl)-1,1-diethylurea
CID 60322754
N-[2-(Methanesulfonyl)ethyl]carbamimidic acid
CID 250253
1-Methyl-1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115609256
1-(2-Ethylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115629363
1-(2-Methylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115633279
N-Methyl-1-[2-(methylcarbamoylamino)ethylsulfanyl]formamide
CID 349968
1-Methyl-3-(2-methylsulfanylethyl)urea
CID 22949110
1-(2-Methylsulfonylethyl)-3-propylurea
CID 23563347
2-Methylsulfinyl ethylurea
CID 54135682
N-methyl-1-oxo-1,4-thiazinane-4-carboxamide
CID 57939455
N-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 57939587

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(2-methylsulfinylethyl)urea?
The IUPAC name of 1,3-dimethyl-1-(2-methylsulfinylethyl)urea (CID 131227779) is 1,3-dimethyl-1-(2-methylsulfinylethyl)urea.
What is the SMILES notation for 1,3-dimethyl-1-(2-methylsulfinylethyl)urea?
The canonical SMILES for 1,3-dimethyl-1-(2-methylsulfinylethyl)urea is CNC(=O)N(C)CCS(C)=O.
What is the InChIKey of 1,3-dimethyl-1-(2-methylsulfinylethyl)urea?
The InChIKey is LGFALNUHBJPWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-7-6(9)8(2)4-5-11(3)10/h4-5H2,1-3H3,(H,7,9).
What are the key properties of 1,3-dimethyl-1-(2-methylsulfinylethyl)urea?
1,3-dimethyl-1-(2-methylsulfinylethyl)urea has a molecular weight of 178.26 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-(2-methylsulfinylethyl)urea is sourced from PubChem (CID 131227779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).