1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea

C11H24N2OS — CID 115897760

IUPAC1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea
SMILESCCC(CSC)N(C)C(=O)N(CC)CC
InChIInChI=1S/C11H24N2OS/c1-6-10(9-15-5)12(4)11(14)13(7-2)8-3/h10H,6-9H2,1-5H3
InChIKeyANRSFMSQAJYEDW-UHFFFAOYSA-N
MW232.39 g/mol
LogP2.52
Rot. Bonds6

About 1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea

1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea (PubChem CID 115897760) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea
PubChem CID115897760
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea
SMILESCCC(CSC)N(C)C(=O)N(CC)CC
InChIInChI=1S/C11H24N2OS/c1-6-10(9-15-5)12(4)11(14)13(7-2)8-3/h10H,6-9H2,1-5H3
InChIKeyANRSFMSQAJYEDW-UHFFFAOYSA-N
XLogP2.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 112662748
2-[ethyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 112662766
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-oxoacetic acid
CID 112663253
3-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 112662758
methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate
CID 115898188
2-methoxy-N-methyl-N-[(2S)-1-methylsulfanylbutan-2-yl]acetamide
CID 97109049
N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide
CID 112551625
1,1-diethyl-3-methyl-3-propan-2-ylurea
CID 89002923
2-hydroxy-1-methyl-1-(1-methylsulfanylbutan-2-yl)guanidine
CID 103955307
2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide
CID 112659461
3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide
CID 112659204
1-ethyl-1,3-dimethyl-3-pentan-3-ylurea
CID 116654334

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea?
The IUPAC name of 1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea (CID 115897760) is 1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea.
What is the SMILES notation for 1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea?
The canonical SMILES for 1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea is CCC(CSC)N(C)C(=O)N(CC)CC.
What is the InChIKey of 1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea?
The InChIKey is ANRSFMSQAJYEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-6-10(9-15-5)12(4)11(14)13(7-2)8-3/h10H,6-9H2,1-5H3.
What are the key properties of 1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea?
1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea has a molecular weight of 232.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea is sourced from PubChem (CID 115897760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).