1-tert-butyl-3-[(1-methylsulfanylcyclobutyl)methyl]urea

C11H22N2OS — CID 107265865

IUPAC1-tert-butyl-3-[(1-methylsulfanylcyclobutyl)methyl]urea
SMILESCSC1(CNC(=O)NC(C)(C)C)CCC1
InChIInChI=1S/C11H22N2OS/c1-10(2,3)13-9(14)12-8-11(15-4)6-5-7-11/h5-8H2,1-4H3,(H2,12,13,14)
InChIKeyHXQPOYVOPQZVAW-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.37
Rot. Bonds3

About 1-tert-butyl-3-[(1-methylsulfanylcyclobutyl)methyl]urea

1-tert-butyl-3-[(1-methylsulfanylcyclobutyl)methyl]urea (PubChem CID 107265865) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 1-tert-butyl-3-[(1-methylsulfanylcyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[(1-methylsulfanylcyclobutyl)methyl]urea
PubChem CID107265865
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name1-tert-butyl-3-[(1-methylsulfanylcyclobutyl)methyl]urea
SMILESCSC1(CNC(=O)NC(C)(C)C)CCC1
InChIInChI=1S/C11H22N2OS/c1-10(2,3)13-9(14)12-8-11(15-4)6-5-7-11/h5-8H2,1-4H3,(H2,12,13,14)
InChIKeyHXQPOYVOPQZVAW-UHFFFAOYSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-3-[(1-methylsulfanylcyclobutyl)methyl]urea 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

1-Cyclobutyl-3-(2-methyl-2-methylsulfanylpropyl)urea
CID 71990206
Urea, N-(1-methylethyl)-N'-[6-(methylthio)hexyl]-
CID 603726
1-[(1-Methylsulfanylcyclobutyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 107268520
1-Cyclobutyl-3-(4-methylsulfanylbutan-2-yl)urea
CID 72008674
1-(Cyclobutylmethyl)-3-[2-(cyclopropylmethylsulfanyl)ethyl]-1-methylurea
CID 75382147
1-[2-(Cyclopropylmethylsulfanyl)ethyl]-3-(1-methylcyclobutyl)urea
CID 75432539
1-[[1-(Dimethylamino)cyclobutyl]methyl]-1-methyl-3-(thiolan-2-ylmethyl)urea
CID 86817836
1-cyclobutyl-3-[(2S)-4-methylsulfanylbutan-2-yl]urea
CID 97564373
1-cyclobutyl-3-[(2R)-4-methylsulfanylbutan-2-yl]urea
CID 97564374
1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[[(2S)-thiolan-2-yl]methyl]urea
CID 99829634
1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[[(2R)-thiolan-2-yl]methyl]urea
CID 99829635
1-(2-Ethyl-2-methylsulfanylbutyl)-3-propan-2-ylurea
CID 103708303

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(1-methylsulfanylcyclobutyl)methyl]urea?
The IUPAC name of 1-tert-butyl-3-[(1-methylsulfanylcyclobutyl)methyl]urea (CID 107265865) is 1-tert-butyl-3-[(1-methylsulfanylcyclobutyl)methyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[(1-methylsulfanylcyclobutyl)methyl]urea?
The canonical SMILES for 1-tert-butyl-3-[(1-methylsulfanylcyclobutyl)methyl]urea is CSC1(CNC(=O)NC(C)(C)C)CCC1.
What is the InChIKey of 1-tert-butyl-3-[(1-methylsulfanylcyclobutyl)methyl]urea?
The InChIKey is HXQPOYVOPQZVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-10(2,3)13-9(14)12-8-11(15-4)6-5-7-11/h5-8H2,1-4H3,(H2,12,13,14).
What are the key properties of 1-tert-butyl-3-[(1-methylsulfanylcyclobutyl)methyl]urea?
1-tert-butyl-3-[(1-methylsulfanylcyclobutyl)methyl]urea has a molecular weight of 230.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(1-methylsulfanylcyclobutyl)methyl]urea is sourced from PubChem (CID 107265865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).