1-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)urea

C14H20N2O4S — CID 51084236

IUPAC1-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)urea
SMILESO=C(NCC1CCS(=O)(=O)C1)N(Cc1ccco1)C1CC1
InChIInChI=1S/C14H20N2O4S/c17-14(15-8-11-5-7-21(18,19)10-11)16(12-3-4-12)9-13-2-1-6-20-13/h1-2,6,11-12H,3-5,7-10H2,(H,15,17)
InChIKeyGHSZQIJLSXPMKH-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.39
Rot. Bonds5

About 1-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)urea

1-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)urea (PubChem CID 51084236) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)urea
PubChem CID51084236
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)urea
SMILESO=C(NCC1CCS(=O)(=O)C1)N(Cc1ccco1)C1CC1
InChIInChI=1S/C14H20N2O4S/c17-14(15-8-11-5-7-21(18,19)10-11)16(12-3-4-12)9-13-2-1-6-20-13/h1-2,6,11-12H,3-5,7-10H2,(H,15,17)
InChIKeyGHSZQIJLSXPMKH-UHFFFAOYSA-N
XLogP1.39
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 72887195
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 7546676
1-cyclopentyl-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)urea
CID 97078813
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 102565822
N-[(3S)-1,1-dioxothiolan-3-yl]-2-fluoro-N-(furan-2-ylmethyl)benzamide
CID 7379163
3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 8019928
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 3759925
N-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46569685
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7390201
1-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)methyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 119139258
2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 35122106
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide
CID 99976891

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)urea (CID 51084236) is 1-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)urea is O=C(NCC1CCS(=O)(=O)C1)N(Cc1ccco1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)urea?
The InChIKey is GHSZQIJLSXPMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c17-14(15-8-11-5-7-21(18,19)10-11)16(12-3-4-12)9-13-2-1-6-20-13/h1-2,6,11-12H,3-5,7-10H2,(H,15,17).
What are the key properties of 1-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)urea?
1-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)urea has a molecular weight of 312.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 51084236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).