1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea

C11H20N2OS — CID 115694325

IUPAC1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea
SMILESCC1(CNC(=O)NC2CCC2)CCCS1
InChIInChI=1S/C11H20N2OS/c1-11(6-3-7-15-11)8-12-10(14)13-9-4-2-5-9/h9H,2-8H2,1H3,(H2,12,13,14)
InChIKeyFGVPKZILROHQKC-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.12
Rot. Bonds3

About 1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea

1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea (PubChem CID 115694325) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea
PubChem CID115694325
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea
SMILESCC1(CNC(=O)NC2CCC2)CCCS1
InChIInChI=1S/C11H20N2OS/c1-11(6-3-7-15-11)8-12-10(14)13-9-4-2-5-9/h9H,2-8H2,1H3,(H2,12,13,14)
InChIKeyFGVPKZILROHQKC-UHFFFAOYSA-N
XLogP2.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclobutyl-3-[(2-methylthiolan-2-yl)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-[(3R)-1,1-dioxothian-3-yl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea
CID 97306096
1-methyl-3-[(2-methylthiolan-2-yl)methyl]urea
CID 115693906
N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide
CID 80528490
1-[[(2R)-2-methylthiolan-2-yl]methyl]-3-[(2R,4R)-2-phenyloxan-4-yl]urea
CID 98892090
1-[[(2R)-2-methylthiolan-2-yl]methyl]-3-[(2R,4S)-2-phenyloxan-4-yl]urea
CID 98892091
methyl N-[(2-methylthiolan-2-yl)methyl]carbamate
CID 115694296
1-[(2-methylthiolan-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 80743662
1-[(2-methylthiolan-2-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81167261
1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea
CID 103735099
1-cyclobutyl-3-[(1-hydroxycyclopentyl)methyl]urea
CID 115642235
1-cyclobutyl-3-[(3-methyloxetan-3-yl)methyl]urea
CID 115624335
(2S)-3-hydroxy-2-[(2-methylthiolan-2-yl)methylcarbamoylamino]propanoic acid
CID 80744506

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea?
The IUPAC name of 1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea (CID 115694325) is 1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea.
What is the SMILES notation for 1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea?
The canonical SMILES for 1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea is CC1(CNC(=O)NC2CCC2)CCCS1.
What is the InChIKey of 1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea?
The InChIKey is FGVPKZILROHQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-11(6-3-7-15-11)8-12-10(14)13-9-4-2-5-9/h9H,2-8H2,1H3,(H2,12,13,14).
What are the key properties of 1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea?
1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea has a molecular weight of 228.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea is sourced from PubChem (CID 115694325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).