1-cyclohexyl-3-(1-oxothiolan-3-yl)urea

C11H20N2O2S — CID 71865616

IUPAC1-cyclohexyl-3-(1-oxothiolan-3-yl)urea
SMILESO=C(NC1CCCCC1)NC1CCS(=O)C1
InChIInChI=1S/C11H20N2O2S/c14-11(12-9-4-2-1-3-5-9)13-10-6-7-16(15)8-10/h9-10H,1-8H2,(H2,12,13,14)
InChIKeyXTKHEOHBZLCTIV-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.14
Rot. Bonds2

About 1-cyclohexyl-3-(1-oxothiolan-3-yl)urea

1-cyclohexyl-3-(1-oxothiolan-3-yl)urea (PubChem CID 71865616) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1-oxothiolan-3-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1-oxothiolan-3-yl)urea
PubChem CID71865616
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-cyclohexyl-3-(1-oxothiolan-3-yl)urea
SMILESO=C(NC1CCCCC1)NC1CCS(=O)C1
InChIInChI=1S/C11H20N2O2S/c14-11(12-9-4-2-1-3-5-9)13-10-6-7-16(15)8-10/h9-10H,1-8H2,(H2,12,13,14)
InChIKeyXTKHEOHBZLCTIV-UHFFFAOYSA-N
XLogP1.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 116657894
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CID 104594564
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CID 17217147
1-(1-oxothiolan-3-yl)-3-(3,3,3-trifluoropropyl)urea
CID 154735349
2-methyl-N-(1-oxothiolan-3-yl)prop-2-enamide
CID 155476064
(2R)-2-amino-3-methyl-N-(1-oxothiolan-3-yl)butanamide
CID 131065515
(2R)-N-(1-oxothiolan-3-yl)azetidine-2-carboxamide;hydrochloride
CID 131160680
2-amino-2-methyl-N-(1-oxothiolan-3-yl)propanamide;hydrochloride
CID 130684165
1-(3-ethylsulfanylpropyl)-3-[(1S,3R)-1-oxothiolan-3-yl]urea
CID 124738652
1-[(1-hydroxycycloheptyl)methyl]-1-methyl-3-[(1R,3R)-1-oxothiolan-3-yl]urea
CID 124890300
N-(1-oxothian-4-yl)piperidine-1-carboxamide
CID 104594568
1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea
CID 115270084

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1-oxothiolan-3-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(1-oxothiolan-3-yl)urea (CID 71865616) is 1-cyclohexyl-3-(1-oxothiolan-3-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(1-oxothiolan-3-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(1-oxothiolan-3-yl)urea is O=C(NC1CCCCC1)NC1CCS(=O)C1.
What is the InChIKey of 1-cyclohexyl-3-(1-oxothiolan-3-yl)urea?
The InChIKey is XTKHEOHBZLCTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c14-11(12-9-4-2-1-3-5-9)13-10-6-7-16(15)8-10/h9-10H,1-8H2,(H2,12,13,14).
What are the key properties of 1-cyclohexyl-3-(1-oxothiolan-3-yl)urea?
1-cyclohexyl-3-(1-oxothiolan-3-yl)urea has a molecular weight of 244.36 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1-oxothiolan-3-yl)urea is sourced from PubChem (CID 71865616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).