1-[(3R,3aR,6R,6aS)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-methylsulfanylphenyl)urea

C14H18N2O4S — CID 162807850

IUPAC1-[(3R,3aR,6R,6aS)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)N[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3O)c1
InChIInChI=1S/C14H18N2O4S/c1-21-9-4-2-3-8(5-9)15-14(18)16-10-6-19-13-11(17)7-20-12(10)13/h2-5,10-13,17H,6-7H2,1H3,(H2,15,16,18)/t10-,11-,12-,13+/m1/s1
InChIKeyMRFCMIPETLABKQ-LPWJVIDDSA-N
MW310.38 g/mol
LogP1.06
Rot. Bonds3

About 1-[(3R,3aR,6R,6aS)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-methylsulfanylphenyl)urea

1-[(3R,3aR,6R,6aS)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-methylsulfanylphenyl)urea (PubChem CID 162807850) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-[(3R,3aR,6R,6aS)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[(3R,3aR,6R,6aS)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-methylsulfanylphenyl)urea
PubChem CID162807850
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name1-[(3R,3aR,6R,6aS)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)N[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3O)c1
InChIInChI=1S/C14H18N2O4S/c1-21-9-4-2-3-8(5-9)15-14(18)16-10-6-19-13-11(17)7-20-12(10)13/h2-5,10-13,17H,6-7H2,1H3,(H2,15,16,18)/t10-,11-,12-,13+/m1/s1
InChIKeyMRFCMIPETLABKQ-LPWJVIDDSA-N
XLogP1.06
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(3R,3aR,6R,6aS)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-methylsulfanylphenyl)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,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3,5-dimethylphenyl)urea
CID 162414640
1-cyclododecyl-3-(3-methylsulfanylphenyl)urea
CID 17087586
1-(4-chlorophenyl)-3-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)urea
CID 73138755
methyl 3-[[(3R,3aR,6R,6aS)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]carbamothioylamino]benzoate
CID 162807624
methyl 3-[[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]carbamothioylamino]benzoate
CID 11867414
4-[(3-methylsulfanylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61183412
1-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(3-methylsulfanylphenyl)urea
CID 91774150
1-[(3R,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(3-methylsulfanylphenyl)urea
CID 155502548
1-(2,3-dihydro-1H-inden-1-yl)-3-(3-methylsulfanylphenyl)urea
CID 4508008
3-[(3-methylsulfanylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63042817
2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide
CID 43145996
1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea
CID 127577317

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,3aR,6R,6aS)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-[(3R,3aR,6R,6aS)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-methylsulfanylphenyl)urea (CID 162807850) is 1-[(3R,3aR,6R,6aS)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[(3R,3aR,6R,6aS)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[(3R,3aR,6R,6aS)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-methylsulfanylphenyl)urea is CSc1cccc(NC(=O)N[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3O)c1.
What is the InChIKey of 1-[(3R,3aR,6R,6aS)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-methylsulfanylphenyl)urea?
The InChIKey is MRFCMIPETLABKQ-LPWJVIDDSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-21-9-4-2-3-8(5-9)15-14(18)16-10-6-19-13-11(17)7-20-12(10)13/h2-5,10-13,17H,6-7H2,1H3,(H2,15,16,18)/t10-,11-,12-,13+/m1/s1.
What are the key properties of 1-[(3R,3aR,6R,6aS)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-methylsulfanylphenyl)urea?
1-[(3R,3aR,6R,6aS)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-methylsulfanylphenyl)urea has a molecular weight of 310.38 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,3aR,6R,6aS)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 162807850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).