1-cyclohexyl-3-[2-(1,1-dioxothiolan-3-yl)ethyl]urea

C13H24N2O3S — CID 110748171

IUPAC1-cyclohexyl-3-[2-(1,1-dioxothiolan-3-yl)ethyl]urea
SMILESO=C(NCCC1CCS(=O)(=O)C1)NC1CCCCC1
InChIInChI=1S/C13H24N2O3S/c16-13(15-12-4-2-1-3-5-12)14-8-6-11-7-9-19(17,18)10-11/h11-12H,1-10H2,(H2,14,15,16)
InChIKeyWYVNULIICRLSDS-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.44
Rot. Bonds4

About 1-cyclohexyl-3-[2-(1,1-dioxothiolan-3-yl)ethyl]urea

1-cyclohexyl-3-[2-(1,1-dioxothiolan-3-yl)ethyl]urea (PubChem CID 110748171) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(1,1-dioxothiolan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(1,1-dioxothiolan-3-yl)ethyl]urea
PubChem CID110748171
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name1-cyclohexyl-3-[2-(1,1-dioxothiolan-3-yl)ethyl]urea
SMILESO=C(NCCC1CCS(=O)(=O)C1)NC1CCCCC1
InChIInChI=1S/C13H24N2O3S/c16-13(15-12-4-2-1-3-5-12)14-8-6-11-7-9-19(17,18)10-11/h11-12H,1-10H2,(H2,14,15,16)
InChIKeyWYVNULIICRLSDS-UHFFFAOYSA-N
XLogP1.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7222590
1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 115611118
N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 3538538
3-(cyclohexylcarbamoylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 37249092
methyl N-[2-(1,1-dioxothiolan-3-yl)ethyl]carbamate
CID 110722962
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[6-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]hexyl]urea
CID 51522467
N-[2-(cycloheptylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 81486869
2-cyclopentyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide
CID 110419542
1-(azepan-3-yl)-3-[(1,1-dioxothian-3-yl)methyl]urea
CID 117235156
1-(azetidin-3-yl)-3-[(1,1-dioxothian-3-yl)methyl]urea
CID 117235143
1-(1-acetylpiperidin-4-yl)-3-[[(3R)-1,1-dioxothiolan-3-yl]methyl]urea
CID 95159121
2-[(3S)-1,1-dioxothiolan-3-yl]-N-methylethanamine
CID 94460980

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(1,1-dioxothiolan-3-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(1,1-dioxothiolan-3-yl)ethyl]urea (CID 110748171) is 1-cyclohexyl-3-[2-(1,1-dioxothiolan-3-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(1,1-dioxothiolan-3-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(1,1-dioxothiolan-3-yl)ethyl]urea is O=C(NCCC1CCS(=O)(=O)C1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(1,1-dioxothiolan-3-yl)ethyl]urea?
The InChIKey is WYVNULIICRLSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c16-13(15-12-4-2-1-3-5-12)14-8-6-11-7-9-19(17,18)10-11/h11-12H,1-10H2,(H2,14,15,16).
What are the key properties of 1-cyclohexyl-3-[2-(1,1-dioxothiolan-3-yl)ethyl]urea?
1-cyclohexyl-3-[2-(1,1-dioxothiolan-3-yl)ethyl]urea has a molecular weight of 288.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(1,1-dioxothiolan-3-yl)ethyl]urea is sourced from PubChem (CID 110748171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).