1-[(3R)-1,1-dioxothiolan-3-yl]-3-[1-(4-fluorophenyl)cyclobutyl]urea

C15H19FN2O3S — CID 95307173

IUPAC1-[(3R)-1,1-dioxothiolan-3-yl]-3-[1-(4-fluorophenyl)cyclobutyl]urea
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)NC1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C15H19FN2O3S/c16-12-4-2-11(3-5-12)15(7-1-8-15)18-14(19)17-13-6-9-22(20,21)10-13/h2-5,13H,1,6-10H2,(H2,17,18,19)/t13-/m1/s1
InChIKeyRTWNDDYSEZWTEO-CYBMUJFWSA-N
MW326.39 g/mol
LogP1.69
Rot. Bonds3

About 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[1-(4-fluorophenyl)cyclobutyl]urea

1-[(3R)-1,1-dioxothiolan-3-yl]-3-[1-(4-fluorophenyl)cyclobutyl]urea (PubChem CID 95307173) has the molecular formula C15H19FN2O3S and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[1-(4-fluorophenyl)cyclobutyl]urea.

Molecular Properties

Compound Name1-[(3R)-1,1-dioxothiolan-3-yl]-3-[1-(4-fluorophenyl)cyclobutyl]urea
PubChem CID95307173
Molecular FormulaC15H19FN2O3S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC Name1-[(3R)-1,1-dioxothiolan-3-yl]-3-[1-(4-fluorophenyl)cyclobutyl]urea
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)NC1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C15H19FN2O3S/c16-12-4-2-11(3-5-12)15(7-1-8-15)18-14(19)17-13-6-9-22(20,21)10-13/h2-5,13H,1,6-10H2,(H2,17,18,19)/t13-/m1/s1
InChIKeyRTWNDDYSEZWTEO-CYBMUJFWSA-N
XLogP1.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215603
1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)urea
CID 7236834
N-[1-(4-fluorophenyl)cyclobutyl]cyclopropanecarboxamide
CID 47408173
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960
2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79845778
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-[[1-(4-fluorophenyl)cyclopentyl]methyl]guanidine
CID 111141363
2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(4-fluorophenyl)propanamide
CID 75117772
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 51717134
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methylsulfanyl]propanamide
CID 41089096
2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 75117733
1-[1-(4-fluorophenyl)cyclopentyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 95279939

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[1-(4-fluorophenyl)cyclobutyl]urea?
The IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[1-(4-fluorophenyl)cyclobutyl]urea (CID 95307173) is 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[1-(4-fluorophenyl)cyclobutyl]urea.
What is the SMILES notation for 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[1-(4-fluorophenyl)cyclobutyl]urea?
The canonical SMILES for 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[1-(4-fluorophenyl)cyclobutyl]urea is O=C(N[C@@H]1CCS(=O)(=O)C1)NC1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[1-(4-fluorophenyl)cyclobutyl]urea?
The InChIKey is RTWNDDYSEZWTEO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19FN2O3S/c16-12-4-2-11(3-5-12)15(7-1-8-15)18-14(19)17-13-6-9-22(20,21)10-13/h2-5,13H,1,6-10H2,(H2,17,18,19)/t13-/m1/s1.
What are the key properties of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[1-(4-fluorophenyl)cyclobutyl]urea?
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[1-(4-fluorophenyl)cyclobutyl]urea has a molecular weight of 326.39 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[1-(4-fluorophenyl)cyclobutyl]urea is sourced from PubChem (CID 95307173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).