1-methyl-1-methylsulfonyl-3-propylurea

C6H14N2O3S — CID 173463477

IUPAC1-methyl-1-methylsulfonyl-3-propylurea
SMILESCCCNC(=O)N(C)S(C)(=O)=O
InChIInChI=1S/C6H14N2O3S/c1-4-5-7-6(9)8(2)12(3,10)11/h4-5H2,1-3H3,(H,7,9)
InChIKeyPEEZMXROATXSGY-UHFFFAOYSA-N
MW194.26 g/mol
LogP-0.00
Rot. Bonds3

About 1-methyl-1-methylsulfonyl-3-propylurea

1-methyl-1-methylsulfonyl-3-propylurea (PubChem CID 173463477) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-methyl-1-methylsulfonyl-3-propylurea.

Molecular Properties

Compound Name1-methyl-1-methylsulfonyl-3-propylurea
PubChem CID173463477
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name1-methyl-1-methylsulfonyl-3-propylurea
SMILESCCCNC(=O)N(C)S(C)(=O)=O
InChIInChI=1S/C6H14N2O3S/c1-4-5-7-6(9)8(2)12(3,10)11/h4-5H2,1-3H3,(H,7,9)
InChIKeyPEEZMXROATXSGY-UHFFFAOYSA-N
XLogP-0.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-propyl-1-sulfanylurea
CID 56993771
1-propan-2-yl-1-prop-2-enyl-3-propylurea
CID 115585837
bis(dihydroxy(oxo)phosphanium);1-methyl-1,3-dipropylurea
CID 88765209
1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea
CID 106335770
4-[methyl(methylsulfonyl)amino]-N-propylbenzamide
CID 53279666
1-(cyclohexylmethyl)-1-methyl-3-propylurea
CID 115583089
1-methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea
CID 88981943
1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
3-butyl-1-(butylcarbamoyl)-1-methylurea
CID 173294648
1-(2-butyl-4-chlorophenyl)sulfonyl-1-methyl-3-propylurea
CID 142008839
1-cyclohexyl-1-cyclopropyl-3-propylurea
CID 110874883
ethyl 2-[methyl(propylcarbamoyl)amino]acetate
CID 10241951

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-methylsulfonyl-3-propylurea?
The IUPAC name of 1-methyl-1-methylsulfonyl-3-propylurea (CID 173463477) is 1-methyl-1-methylsulfonyl-3-propylurea.
What is the SMILES notation for 1-methyl-1-methylsulfonyl-3-propylurea?
The canonical SMILES for 1-methyl-1-methylsulfonyl-3-propylurea is CCCNC(=O)N(C)S(C)(=O)=O.
What is the InChIKey of 1-methyl-1-methylsulfonyl-3-propylurea?
The InChIKey is PEEZMXROATXSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-4-5-7-6(9)8(2)12(3,10)11/h4-5H2,1-3H3,(H,7,9).
What are the key properties of 1-methyl-1-methylsulfonyl-3-propylurea?
1-methyl-1-methylsulfonyl-3-propylurea has a molecular weight of 194.26 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-methylsulfonyl-3-propylurea is sourced from PubChem (CID 173463477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).