1-(2-methoxycyclohexyl)-3-(4-methylsulfanylbutan-2-yl)urea

C13H26N2O2S — CID 71989996

IUPAC1-(2-methoxycyclohexyl)-3-(4-methylsulfanylbutan-2-yl)urea
SMILESCOC1CCCCC1NC(=O)NC(C)CCSC
InChIInChI=1S/C13H26N2O2S/c1-10(8-9-18-3)14-13(16)15-11-6-4-5-7-12(11)17-2/h10-12H,4-9H2,1-3H3,(H2,14,15,16)
InChIKeyLZJAJAKFMXEJGA-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.38
Rot. Bonds6

About 1-(2-methoxycyclohexyl)-3-(4-methylsulfanylbutan-2-yl)urea

1-(2-methoxycyclohexyl)-3-(4-methylsulfanylbutan-2-yl)urea (PubChem CID 71989996) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(2-methoxycyclohexyl)-3-(4-methylsulfanylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(2-methoxycyclohexyl)-3-(4-methylsulfanylbutan-2-yl)urea
PubChem CID71989996
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-(2-methoxycyclohexyl)-3-(4-methylsulfanylbutan-2-yl)urea
SMILESCOC1CCCCC1NC(=O)NC(C)CCSC
InChIInChI=1S/C13H26N2O2S/c1-10(8-9-18-3)14-13(16)15-11-6-4-5-7-12(11)17-2/h10-12H,4-9H2,1-3H3,(H2,14,15,16)
InChIKeyLZJAJAKFMXEJGA-UHFFFAOYSA-N
XLogP2.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-methoxycyclopentyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 104910229
1-[(2S)-4-methylsulfanylbutan-2-yl]-3-[(1R,2S)-2-methylsulfanylcyclopentyl]urea
CID 96518851
(2R)-2-[(2-methoxycyclopentyl)carbamoylamino]pentanoic acid
CID 107566778
(2S,3S)-2-[(2-methoxycyclopentyl)carbamoylamino]-3-methylpentanoic acid
CID 55033421
S-methyl N-[(1R,2S)-2-methoxycyclohexyl]carbamothioate
CID 41097231
4-methoxy-2-[(2-methoxycyclopentyl)carbamoylamino]butanoic acid
CID 62472524
2-[(2-methoxycyclopentyl)carbamoylamino]pentanedioic acid
CID 62088265
1-[2-(hydroxymethyl)cyclohexyl]-3-(1-methylsulfanylpropan-2-yl)urea
CID 71980784
3-(4-methylsulfanylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113477952
methyl 2-(cyclopentylcarbamoylamino)-4-methylsulfanylbutanoate
CID 4253884
N-[(1R,2R)-2-methoxycyclopentyl]-2-methylpropanamide
CID 130650913
2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64817335

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycyclohexyl)-3-(4-methylsulfanylbutan-2-yl)urea?
The IUPAC name of 1-(2-methoxycyclohexyl)-3-(4-methylsulfanylbutan-2-yl)urea (CID 71989996) is 1-(2-methoxycyclohexyl)-3-(4-methylsulfanylbutan-2-yl)urea.
What is the SMILES notation for 1-(2-methoxycyclohexyl)-3-(4-methylsulfanylbutan-2-yl)urea?
The canonical SMILES for 1-(2-methoxycyclohexyl)-3-(4-methylsulfanylbutan-2-yl)urea is COC1CCCCC1NC(=O)NC(C)CCSC.
What is the InChIKey of 1-(2-methoxycyclohexyl)-3-(4-methylsulfanylbutan-2-yl)urea?
The InChIKey is LZJAJAKFMXEJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-10(8-9-18-3)14-13(16)15-11-6-4-5-7-12(11)17-2/h10-12H,4-9H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-(2-methoxycyclohexyl)-3-(4-methylsulfanylbutan-2-yl)urea?
1-(2-methoxycyclohexyl)-3-(4-methylsulfanylbutan-2-yl)urea has a molecular weight of 274.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycyclohexyl)-3-(4-methylsulfanylbutan-2-yl)urea is sourced from PubChem (CID 71989996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).