1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea

C10H22N2OS — CID 103708307

IUPAC1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea
SMILESCCNC(=O)NCC(CC)(CC)SC
InChIInChI=1S/C10H22N2OS/c1-5-10(6-2,14-4)8-12-9(13)11-7-3/h5-8H2,1-4H3,(H2,11,12,13)
InChIKeyYWLBJWMLAOEXEN-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.23
Rot. Bonds6

About 1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea

1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea (PubChem CID 103708307) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea
PubChem CID103708307
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea
SMILESCCNC(=O)NCC(CC)(CC)SC
InChIInChI=1S/C10H22N2OS/c1-5-10(6-2,14-4)8-12-9(13)11-7-3/h5-8H2,1-4H3,(H2,11,12,13)
InChIKeyYWLBJWMLAOEXEN-UHFFFAOYSA-N
XLogP2.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethyl-2-methylsulfanylbutyl)-3-(2,2,2-trifluoroethyl)urea
CID 113245448
2-(ethylamino)-N-(2-ethyl-2-methylsulfanylbutyl)acetamide
CID 103812546
1-(2-amino-2-ethylbutyl)-3-ethylurea
CID 115305864
1,3-diethylurea;ethane
CID 142885504
2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)propanamide
CID 103881656
1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride
CID 119809809
1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)urea
CID 71787402
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide
CID 103797840
4-amino-N-(2-ethyl-2-methylsulfanylbutyl)-4-methylpentanamide
CID 103812548
(2S)-2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide
CID 103833285
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide
CID 103812566
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide
CID 103797832

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea?
The IUPAC name of 1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea (CID 103708307) is 1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea.
What is the SMILES notation for 1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea?
The canonical SMILES for 1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea is CCNC(=O)NCC(CC)(CC)SC.
What is the InChIKey of 1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea?
The InChIKey is YWLBJWMLAOEXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-5-10(6-2,14-4)8-12-9(13)11-7-3/h5-8H2,1-4H3,(H2,11,12,13).
What are the key properties of 1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea?
1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea has a molecular weight of 218.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea is sourced from PubChem (CID 103708307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).