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

C16H24N2O2S — CID 111455468

IUPAC1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
SMILESCSCC(CCO)NC(=O)NC1c2ccccc2CC1C
InChIInChI=1S/C16H24N2O2S/c1-11-9-12-5-3-4-6-14(12)15(11)18-16(20)17-13(7-8-19)10-21-2/h3-6,11,13,15,19H,7-10H2,1-2H3,(H2,17,18,20)
InChIKeyIKVYNPFEVCWTBX-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.33
Rot. Bonds6

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

1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 111455468) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID111455468
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
SMILESCSCC(CCO)NC(=O)NC1c2ccccc2CC1C
InChIInChI=1S/C16H24N2O2S/c1-11-9-12-5-3-4-6-14(12)15(11)18-16(20)17-13(7-8-19)10-21-2/h3-6,11,13,15,19H,7-10H2,1-2H3,(H2,17,18,20)
InChIKeyIKVYNPFEVCWTBX-UHFFFAOYSA-N
XLogP2.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea
CID 111454160
1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111116927
1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 25051108
1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111121271
1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea
CID 97024875
1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea
CID 97024874
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111115269
1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111506246
(2R,4R)-4-hydroxy-2,6-dimethyl-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]heptanamide
CID 58841310
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-2,6-dimethylbenzamide
CID 97328538
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea (CID 111455468) is 1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea is CSCC(CCO)NC(=O)NC1c2ccccc2CC1C.
What is the InChIKey of 1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is IKVYNPFEVCWTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11-9-12-5-3-4-6-14(12)15(11)18-16(20)17-13(7-8-19)10-21-2/h3-6,11,13,15,19H,7-10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea?
1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 308.45 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 111455468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).