1-(furan-2-ylmethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea

C11H18N2O3S — CID 111437101

IUPAC1-(furan-2-ylmethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
SMILESCSCC(C)(O)CNC(=O)NCc1ccco1
InChIInChI=1S/C11H18N2O3S/c1-11(15,8-17-2)7-13-10(14)12-6-9-4-3-5-16-9/h3-5,15H,6-8H2,1-2H3,(H2,12,13,14)
InChIKeyKBYDTEHELZTCGY-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.19
Rot. Bonds6

About 1-(furan-2-ylmethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea

1-(furan-2-ylmethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea (PubChem CID 111437101) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
PubChem CID111437101
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name1-(furan-2-ylmethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
SMILESCSCC(C)(O)CNC(=O)NCc1ccco1
InChIInChI=1S/C11H18N2O3S/c1-11(15,8-17-2)7-13-10(14)12-6-9-4-3-5-16-9/h3-5,15H,6-8H2,1-2H3,(H2,12,13,14)
InChIKeyKBYDTEHELZTCGY-UHFFFAOYSA-N
XLogP1.19
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(furan-2-ylmethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)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

N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 103711886
1-(2,2-diethyl-4-hydroxybutyl)-3-(furan-2-ylmethyl)urea
CID 111499070
1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
CID 90605292
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631
1-[(4-fluoro-3-methylphenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111438054
N-(furan-2-ylmethyl)acetamide
CID 2394850
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111470946
2-(furan-2-ylmethylcarbamoylamino)-N-[3-(methylsulfanylmethyl)phenyl]acetamide
CID 56785440
1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 108899432
N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605256
2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 106147403

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea (CID 111437101) is 1-(furan-2-ylmethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea is CSCC(C)(O)CNC(=O)NCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea?
The InChIKey is KBYDTEHELZTCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-11(15,8-17-2)7-13-10(14)12-6-9-4-3-5-16-9/h3-5,15H,6-8H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-(furan-2-ylmethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea?
1-(furan-2-ylmethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea has a molecular weight of 258.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea is sourced from PubChem (CID 111437101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).