1-(oxolan-3-yl)-3-(thiolan-3-ylmethyl)urea

C10H18N2O2S — CID 107295552

IUPAC1-(oxolan-3-yl)-3-(thiolan-3-ylmethyl)urea
SMILESO=C(NCC1CCSC1)NC1CCOC1
InChIInChI=1S/C10H18N2O2S/c13-10(12-9-1-3-14-6-9)11-5-8-2-4-15-7-8/h8-9H,1-7H2,(H2,11,12,13)
InChIKeyMESDBHXGIHHIDO-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.83
Rot. Bonds3

About 1-(oxolan-3-yl)-3-(thiolan-3-ylmethyl)urea

1-(oxolan-3-yl)-3-(thiolan-3-ylmethyl)urea (PubChem CID 107295552) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-3-(thiolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(oxolan-3-yl)-3-(thiolan-3-ylmethyl)urea
PubChem CID107295552
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name1-(oxolan-3-yl)-3-(thiolan-3-ylmethyl)urea
SMILESO=C(NCC1CCSC1)NC1CCOC1
InChIInChI=1S/C10H18N2O2S/c13-10(12-9-1-3-14-6-9)11-5-8-2-4-15-7-8/h8-9H,1-7H2,(H2,11,12,13)
InChIKeyMESDBHXGIHHIDO-UHFFFAOYSA-N
XLogP0.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(thiolan-3-ylmethyl)urea
CID 107295545
1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 115758905
1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
CID 113321980
1-[(1,1-dioxothiolan-3-yl)methyl]-3-(oxolan-3-yl)urea
CID 113321834
1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea
CID 154765265
1-(morpholin-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 103548783
N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
CID 107295543
3-chloro-N-(thiolan-3-ylmethylcarbamoyl)propanamide
CID 107297678
1-[(3-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
CID 114700112
1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea
CID 115759096
3-(thiolan-3-ylmethylcarbamoylamino)propanoic acid
CID 107297506

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-3-(thiolan-3-ylmethyl)urea?
The IUPAC name of 1-(oxolan-3-yl)-3-(thiolan-3-ylmethyl)urea (CID 107295552) is 1-(oxolan-3-yl)-3-(thiolan-3-ylmethyl)urea.
What is the SMILES notation for 1-(oxolan-3-yl)-3-(thiolan-3-ylmethyl)urea?
The canonical SMILES for 1-(oxolan-3-yl)-3-(thiolan-3-ylmethyl)urea is O=C(NCC1CCSC1)NC1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-3-(thiolan-3-ylmethyl)urea?
The InChIKey is MESDBHXGIHHIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c13-10(12-9-1-3-14-6-9)11-5-8-2-4-15-7-8/h8-9H,1-7H2,(H2,11,12,13).
What are the key properties of 1-(oxolan-3-yl)-3-(thiolan-3-ylmethyl)urea?
1-(oxolan-3-yl)-3-(thiolan-3-ylmethyl)urea has a molecular weight of 230.33 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-3-(thiolan-3-ylmethyl)urea is sourced from PubChem (CID 107295552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).