1-(2-ethyl-2-methylsulfanylbutyl)-3-propan-2-ylurea

C11H24N2OS — CID 103708303

IUPAC1-(2-ethyl-2-methylsulfanylbutyl)-3-propan-2-ylurea
SMILESCCC(CC)(CNC(=O)NC(C)C)SC
InChIInChI=1S/C11H24N2OS/c1-6-11(7-2,15-5)8-12-10(14)13-9(3)4/h9H,6-8H2,1-5H3,(H2,12,13,14)
InChIKeyBHWTXKKRUNORCK-UHFFFAOYSA-N
MW232.39 g/mol
LogP2.62
Rot. Bonds6

About 1-(2-ethyl-2-methylsulfanylbutyl)-3-propan-2-ylurea

1-(2-ethyl-2-methylsulfanylbutyl)-3-propan-2-ylurea (PubChem CID 103708303) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 1-(2-ethyl-2-methylsulfanylbutyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-ethyl-2-methylsulfanylbutyl)-3-propan-2-ylurea
PubChem CID103708303
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name1-(2-ethyl-2-methylsulfanylbutyl)-3-propan-2-ylurea
SMILESCCC(CC)(CNC(=O)NC(C)C)SC
InChIInChI=1S/C11H24N2OS/c1-6-11(7-2,15-5)8-12-10(14)13-9(3)4/h9H,6-8H2,1-5H3,(H2,12,13,14)
InChIKeyBHWTXKKRUNORCK-UHFFFAOYSA-N
XLogP2.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Methyl-2-methylsulfanylpropyl)-3-(thian-4-yl)urea
CID 71989977
1-Cyclobutyl-3-(2-methyl-2-methylsulfanylpropyl)urea
CID 71990206
Urea, N-(1-methylethyl)-N'-[6-(methylthio)hexyl]-
CID 603726
1-(2-Ethyl-2-methylsulfanylbutyl)-3-(2,2,2-trifluoroethyl)urea
CID 113245448
1-(4-Methylhexyl)-3-(2-methylsulfanylethyl)urea
CID 57554103
1-Butyl-3-(2-methylsulfanylpropan-2-yl)urea
CID 58903460
1-Butan-2-yl-3-(2-butylsulfanylethyl)urea
CID 141077216
1-(3-Butylsulfanylpropyl)-3-propan-2-ylurea;ethane
CID 142284393
(3R)-3-methyl-3-methylsulfanyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 164021806
1-(2,2-Dimethylpropyl)-3-(thian-4-yl)urea
CID 53589242
1-(4-Methylsulfanylbutan-2-yl)-3-[(2-methylthiolan-2-yl)methyl]urea
CID 71853184
1-(4-Methylsulfanylbutyl)-3-(thian-3-yl)urea
CID 71978875

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2-methylsulfanylbutyl)-3-propan-2-ylurea?
The IUPAC name of 1-(2-ethyl-2-methylsulfanylbutyl)-3-propan-2-ylurea (CID 103708303) is 1-(2-ethyl-2-methylsulfanylbutyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-ethyl-2-methylsulfanylbutyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-ethyl-2-methylsulfanylbutyl)-3-propan-2-ylurea is CCC(CC)(CNC(=O)NC(C)C)SC.
What is the InChIKey of 1-(2-ethyl-2-methylsulfanylbutyl)-3-propan-2-ylurea?
The InChIKey is BHWTXKKRUNORCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-6-11(7-2,15-5)8-12-10(14)13-9(3)4/h9H,6-8H2,1-5H3,(H2,12,13,14).
What are the key properties of 1-(2-ethyl-2-methylsulfanylbutyl)-3-propan-2-ylurea?
1-(2-ethyl-2-methylsulfanylbutyl)-3-propan-2-ylurea has a molecular weight of 232.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2-methylsulfanylbutyl)-3-propan-2-ylurea is sourced from PubChem (CID 103708303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).