1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea

C16H29N3OS — CID 71985715

IUPAC1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
SMILESCN(C(=O)NCC1(N2CCSCC2)CCCC1)C1CCC1
InChIInChI=1S/C16H29N3OS/c1-18(14-5-4-6-14)15(20)17-13-16(7-2-3-8-16)19-9-11-21-12-10-19/h14H,2-13H2,1H3,(H,17,20)
InChIKeyDESHRDJHKGFYGY-UHFFFAOYSA-N
MW311.50 g/mol
LogP2.54
Rot. Bonds4

About 1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea

1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea (PubChem CID 71985715) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
PubChem CID71985715
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
SMILESCN(C(=O)NCC1(N2CCSCC2)CCCC1)C1CCC1
InChIInChI=1S/C16H29N3OS/c1-18(14-5-4-6-14)15(20)17-13-16(7-2-3-8-16)19-9-11-21-12-10-19/h14H,2-13H2,1H3,(H,17,20)
InChIKeyDESHRDJHKGFYGY-UHFFFAOYSA-N
XLogP2.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)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

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea?
The IUPAC name of 1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea (CID 71985715) is 1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea.
What is the SMILES notation for 1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea?
The canonical SMILES for 1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea is CN(C(=O)NCC1(N2CCSCC2)CCCC1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea?
The InChIKey is DESHRDJHKGFYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-18(14-5-4-6-14)15(20)17-13-16(7-2-3-8-16)19-9-11-21-12-10-19/h14H,2-13H2,1H3,(H,17,20).
What are the key properties of 1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea?
1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea has a molecular weight of 311.50 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea is sourced from PubChem (CID 71985715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).