1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)urea

C15H29N3O4S — CID 71893416

IUPAC1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)urea
SMILESCC(C)C(CNC(=O)N(C)C1CCS(=O)(=O)C1)N1CCOCC1
InChIInChI=1S/C15H29N3O4S/c1-12(2)14(18-5-7-22-8-6-18)10-16-15(19)17(3)13-4-9-23(20,21)11-13/h12-14H,4-11H2,1-3H3,(H,16,19)
InChIKeyWDZHKTBCZWVFJY-UHFFFAOYSA-N
MW347.48 g/mol
LogP0.17
Rot. Bonds5

About 1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)urea

1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)urea (PubChem CID 71893416) has the molecular formula C15H29N3O4S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)urea.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)urea
PubChem CID71893416
Molecular FormulaC15H29N3O4S
Molecular Weight347.48 g/mol
Exact Mass347.19
IUPAC Name1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)urea
SMILESCC(C)C(CNC(=O)N(C)C1CCS(=O)(=O)C1)N1CCOCC1
InChIInChI=1S/C15H29N3O4S/c1-12(2)14(18-5-7-22-8-6-18)10-16-15(19)17(3)13-4-9-23(20,21)11-13/h12-14H,4-11H2,1-3H3,(H,16,19)
InChIKeyWDZHKTBCZWVFJY-UHFFFAOYSA-N
XLogP0.17
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)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-[(1,1-dioxothiolan-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 51082704
1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 94175349
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]acetic acid
CID 43649063
1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 71893997
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]oxane-4-carboxylic acid
CID 115292903
1-(1,1-dioxothiolan-3-yl)-1-methyl-3-[2-(3-methylphenyl)propyl]urea
CID 75422159
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111140776
N-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-3-carboxamide
CID 119841324
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-N-propan-2-ylpropanediamide
CID 108940820
3-[(E)-2,3-dimethylbut-1-enyl]-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 108914751

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)urea?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)urea (CID 71893416) is 1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)urea.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)urea?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)urea is CC(C)C(CNC(=O)N(C)C1CCS(=O)(=O)C1)N1CCOCC1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)urea?
The InChIKey is WDZHKTBCZWVFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O4S/c1-12(2)14(18-5-7-22-8-6-18)10-16-15(19)17(3)13-4-9-23(20,21)11-13/h12-14H,4-11H2,1-3H3,(H,16,19).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)urea?
1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)urea has a molecular weight of 347.48 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)urea is sourced from PubChem (CID 71893416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).