1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea

C10H18N2O3S — CID 104600925

IUPAC1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea
SMILESO=C(NC1CCC1)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C10H18N2O3S/c13-10(11-8-3-1-4-8)12-9-5-2-6-16(14,15)7-9/h8-9H,1-7H2,(H2,11,12,13)
InChIKeyFUYKRTSYIALDGF-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.42
Rot. Bonds2

About 1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea

1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea (PubChem CID 104600925) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea
PubChem CID104600925
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea
SMILESO=C(NC1CCC1)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C10H18N2O3S/c13-10(11-8-3-1-4-8)12-9-5-2-6-16(14,15)7-9/h8-9H,1-7H2,(H2,11,12,13)
InChIKeyFUYKRTSYIALDGF-UHFFFAOYSA-N
XLogP0.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
1-(1,1-dioxothian-3-yl)-3-(oxolan-3-yl)urea
CID 104600923
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-methylcyclohexyl)urea
CID 98160954
1-[(3R)-1,1-dioxothiolan-3-yl]-3-piperidin-4-ylurea
CID 129409749
4-[(1,1-dioxothian-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 63922384
N-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide
CID 115629618
2-[(1,1-dioxothian-3-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 63923402
4-[(1,1-dioxothian-3-yl)carbamoylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 77013071
N-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide
CID 63924115
1-cyclobutyl-3-cyclohexylurea
CID 17217147
4-[(1,1-dioxothian-3-yl)carbamoylamino]benzoic acid
CID 63923964
1-(1,1-dioxothian-3-yl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117234755

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea?
The IUPAC name of 1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea (CID 104600925) is 1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea?
The canonical SMILES for 1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea is O=C(NC1CCC1)NC1CCCS(=O)(=O)C1.
What is the InChIKey of 1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea?
The InChIKey is FUYKRTSYIALDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c13-10(11-8-3-1-4-8)12-9-5-2-6-16(14,15)7-9/h8-9H,1-7H2,(H2,11,12,13).
What are the key properties of 1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea?
1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea has a molecular weight of 246.33 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea is sourced from PubChem (CID 104600925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).