1-methyl-1-(2-methylsulfanylethyl)-3-propylurea

C8H18N2OS — CID 115686573

IUPAC1-methyl-1-(2-methylsulfanylethyl)-3-propylurea
SMILESCCCNC(=O)N(C)CCSC
InChIInChI=1S/C8H18N2OS/c1-4-5-9-8(11)10(2)6-7-12-3/h4-7H2,1-3H3,(H,9,11)
InChIKeyRCWHEFAOLOXANJ-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.40
Rot. Bonds5

About 1-methyl-1-(2-methylsulfanylethyl)-3-propylurea

1-methyl-1-(2-methylsulfanylethyl)-3-propylurea (PubChem CID 115686573) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 1-methyl-1-(2-methylsulfanylethyl)-3-propylurea.

Molecular Properties

Compound Name1-methyl-1-(2-methylsulfanylethyl)-3-propylurea
PubChem CID115686573
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name1-methyl-1-(2-methylsulfanylethyl)-3-propylurea
SMILESCCCNC(=O)N(C)CCSC
InChIInChI=1S/C8H18N2OS/c1-4-5-9-8(11)10(2)6-7-12-3/h4-7H2,1-3H3,(H,9,11)
InChIKeyRCWHEFAOLOXANJ-UHFFFAOYSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-1-(2-methylsulfanylethyl)-3-propylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(gamma-Dimethylaminopropyl)thiocarbamic acid S-ethyl ester
CID 29697
[2-(Methylsulfanyl)ethyl]urea
CID 248540
1,3-Bis(2-(methylsulfanyl)ethyl)urea
CID 86123774
3,3-Dimethyl-1-(2-(methylsulfanyl)ethyl)urea
CID 115575774
3,3-Dimethyl-1-(thian-4-yl)urea
CID 115600273
N-(2-(methylsulfanyl)ethyl)pyrrolidine-1-carboxamide
CID 115604459
3,3-Dimethyl-1-(3-(methylsulfanyl)propyl)urea
CID 115636311
1-Methyl-3-(3-(methylsulfanyl)propyl)urea
CID 115640894
3-[2-(Dimethylamino)ethyl]-1-[2-(methylsulfanyl)ethyl]urea
CID 165670898
1-[3-[Difluoro(methyl)-lambda4-sulfanyl]propyl]-3-methylurea
CID 170264475
Carbamothioic acid, N-[1-(dimethylamino)propyl]-, S-ethyl ester, hydrochloride (1:1)
CID 23619586
1-(2-Methylsulfanylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 115758263

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-methylsulfanylethyl)-3-propylurea?
The IUPAC name of 1-methyl-1-(2-methylsulfanylethyl)-3-propylurea (CID 115686573) is 1-methyl-1-(2-methylsulfanylethyl)-3-propylurea.
What is the SMILES notation for 1-methyl-1-(2-methylsulfanylethyl)-3-propylurea?
The canonical SMILES for 1-methyl-1-(2-methylsulfanylethyl)-3-propylurea is CCCNC(=O)N(C)CCSC.
What is the InChIKey of 1-methyl-1-(2-methylsulfanylethyl)-3-propylurea?
The InChIKey is RCWHEFAOLOXANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-4-5-9-8(11)10(2)6-7-12-3/h4-7H2,1-3H3,(H,9,11).
What are the key properties of 1-methyl-1-(2-methylsulfanylethyl)-3-propylurea?
1-methyl-1-(2-methylsulfanylethyl)-3-propylurea has a molecular weight of 190.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-methylsulfanylethyl)-3-propylurea is sourced from PubChem (CID 115686573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).