1-cyclopropyl-3-(1,4-dioxan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea

C14H20N2O3S — CID 75404616

IUPAC1-cyclopropyl-3-(1,4-dioxan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
SMILESO=C(NCC1COCCO1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H20N2O3S/c17-14(15-8-12-10-18-5-6-19-12)16(11-3-4-11)9-13-2-1-7-20-13/h1-2,7,11-12H,3-6,8-10H2,(H,15,17)
InChIKeyUHTOSIKBPFRUCT-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.84
Rot. Bonds5

About 1-cyclopropyl-3-(1,4-dioxan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea

1-cyclopropyl-3-(1,4-dioxan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea (PubChem CID 75404616) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1,4-dioxan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(1,4-dioxan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
PubChem CID75404616
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-cyclopropyl-3-(1,4-dioxan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
SMILESO=C(NCC1COCCO1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H20N2O3S/c17-14(15-8-12-10-18-5-6-19-12)16(11-3-4-11)9-13-2-1-7-20-13/h1-2,7,11-12H,3-6,8-10H2,(H,15,17)
InChIKeyUHTOSIKBPFRUCT-UHFFFAOYSA-N
XLogP1.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(1,4-dioxan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-(1,4-dioxan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea (CID 75404616) is 1-cyclopropyl-3-(1,4-dioxan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(1,4-dioxan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(1,4-dioxan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea is O=C(NCC1COCCO1)N(Cc1cccs1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(1,4-dioxan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea?
The InChIKey is UHTOSIKBPFRUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c17-14(15-8-12-10-18-5-6-19-12)16(11-3-4-11)9-13-2-1-7-20-13/h1-2,7,11-12H,3-6,8-10H2,(H,15,17).
What are the key properties of 1-cyclopropyl-3-(1,4-dioxan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea?
1-cyclopropyl-3-(1,4-dioxan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea has a molecular weight of 296.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1,4-dioxan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 75404616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).