1-(2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea

C15H22N2O2S — CID 111454160

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea
SMILESCSCC(CCO)NC(=O)NC1CCc2ccccc21
InChIInChI=1S/C15H22N2O2S/c1-20-10-12(8-9-18)16-15(19)17-14-7-6-11-4-2-3-5-13(11)14/h2-5,12,14,18H,6-10H2,1H3,(H2,16,17,19)
InChIKeyMVSDASYTHZTANC-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.09
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea

1-(2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea (PubChem CID 111454160) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea
PubChem CID111454160
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea
SMILESCSCC(CCO)NC(=O)NC1CCc2ccccc21
InChIInChI=1S/C15H22N2O2S/c1-20-10-12(8-9-18)16-15(19)17-14-7-6-11-4-2-3-5-13(11)14/h2-5,12,14,18H,6-10H2,1H3,(H2,16,17,19)
InChIKeyMVSDASYTHZTANC-UHFFFAOYSA-N
XLogP2.09
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111455468
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111455346
2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-N-ethylpropanamide
CID 42928312
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 78988055
N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 115721717
1-[bis(4-fluorophenyl)methyl]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]urea
CID 97314053
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111337898
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid
CID 55155027
1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 113233184
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
CID 24983548
1-(2-bromoethyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 59355774

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea (CID 111454160) is 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea is CSCC(CCO)NC(=O)NC1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea?
The InChIKey is MVSDASYTHZTANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-20-10-12(8-9-18)16-15(19)17-14-7-6-11-4-2-3-5-13(11)14/h2-5,12,14,18H,6-10H2,1H3,(H2,16,17,19).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea?
1-(2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea has a molecular weight of 294.42 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea is sourced from PubChem (CID 111454160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).