[5-hydroxy-2-methyl-6-[3-(methylsulfamoyl)phenoxy]hexan-2-yl] carbamate

C15H24N2O6S — CID 175063433

IUPAC[5-hydroxy-2-methyl-6-[3-(methylsulfamoyl)phenoxy]hexan-2-yl] carbamate
SMILESCNS(=O)(=O)c1cccc(OCC(O)CCC(C)(C)OC(N)=O)c1
InChIInChI=1S/C15H24N2O6S/c1-15(2,23-14(16)19)8-7-11(18)10-22-12-5-4-6-13(9-12)24(20,21)17-3/h4-6,9,11,17-18H,7-8,10H2,1-3H3,(H2,16,19)
InChIKeyXJKBCNLRWGGRDL-UHFFFAOYSA-N
MW360.43 g/mol
LogP0.99
Rot. Bonds9

About [5-hydroxy-2-methyl-6-[3-(methylsulfamoyl)phenoxy]hexan-2-yl] carbamate

[5-hydroxy-2-methyl-6-[3-(methylsulfamoyl)phenoxy]hexan-2-yl] carbamate (PubChem CID 175063433) has the molecular formula C15H24N2O6S and a molecular weight of 360.43 g/mol. Its IUPAC name is [5-hydroxy-2-methyl-6-[3-(methylsulfamoyl)phenoxy]hexan-2-yl] carbamate.

Molecular Properties

Compound Name[5-hydroxy-2-methyl-6-[3-(methylsulfamoyl)phenoxy]hexan-2-yl] carbamate
PubChem CID175063433
Molecular FormulaC15H24N2O6S
Molecular Weight360.43 g/mol
Exact Mass360.14
IUPAC Name[5-hydroxy-2-methyl-6-[3-(methylsulfamoyl)phenoxy]hexan-2-yl] carbamate
SMILESCNS(=O)(=O)c1cccc(OCC(O)CCC(C)(C)OC(N)=O)c1
InChIInChI=1S/C15H24N2O6S/c1-15(2,23-14(16)19)8-7-11(18)10-22-12-5-4-6-13(9-12)24(20,21)17-3/h4-6,9,11,17-18H,7-8,10H2,1-3H3,(H2,16,19)
InChIKeyXJKBCNLRWGGRDL-UHFFFAOYSA-N
XLogP0.99
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2S)-2-hydroxypropoxy]-N-methylbenzenesulfonamide
CID 175061321
[2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate
CID 175231524
3-[2-hydroxy-3-[[8-[2-(trifluoromethyl)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide
CID 175061691
2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide
CID 61219801
ethyl 8-acetyl-12-hydroxy-13-(3-methylsulfonylphenoxy)tridecanoate
CID 22759213
3-[[(3-ethoxyphenyl)methylamino]methyl]-N-methylbenzenesulfonamide
CID 56824122
3-[3-[[3-[[2-hydroxy-3-[3-(methylsulfamoyl)phenoxy]propyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]sulfonyl]phenyl]benzoic acid
CID 138681829
(2S)-1-(3-ethylsulfonylphenoxy)propan-2-ol
CID 175231435
tert-butyl N-[(2S)-2-[2-hydroxy-3-(3-methylsulfonylphenoxy)propyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate
CID 175846619
3-[(2S)-2-hydroxy-3-[[8-(3-methoxyphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide
CID 138681128
2-amino-2-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pentanamide;hydrochloride
CID 119771247
3-[2-hydroxy-3-[[8-[4-(trifluoromethyl)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide
CID 138680968

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-2-methyl-6-[3-(methylsulfamoyl)phenoxy]hexan-2-yl] carbamate?
The IUPAC name of [5-hydroxy-2-methyl-6-[3-(methylsulfamoyl)phenoxy]hexan-2-yl] carbamate (CID 175063433) is [5-hydroxy-2-methyl-6-[3-(methylsulfamoyl)phenoxy]hexan-2-yl] carbamate.
What is the SMILES notation for [5-hydroxy-2-methyl-6-[3-(methylsulfamoyl)phenoxy]hexan-2-yl] carbamate?
The canonical SMILES for [5-hydroxy-2-methyl-6-[3-(methylsulfamoyl)phenoxy]hexan-2-yl] carbamate is CNS(=O)(=O)c1cccc(OCC(O)CCC(C)(C)OC(N)=O)c1.
What is the InChIKey of [5-hydroxy-2-methyl-6-[3-(methylsulfamoyl)phenoxy]hexan-2-yl] carbamate?
The InChIKey is XJKBCNLRWGGRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O6S/c1-15(2,23-14(16)19)8-7-11(18)10-22-12-5-4-6-13(9-12)24(20,21)17-3/h4-6,9,11,17-18H,7-8,10H2,1-3H3,(H2,16,19).
What are the key properties of [5-hydroxy-2-methyl-6-[3-(methylsulfamoyl)phenoxy]hexan-2-yl] carbamate?
[5-hydroxy-2-methyl-6-[3-(methylsulfamoyl)phenoxy]hexan-2-yl] carbamate has a molecular weight of 360.43 g/mol, XLogP of 0.99, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-2-methyl-6-[3-(methylsulfamoyl)phenoxy]hexan-2-yl] carbamate is sourced from PubChem (CID 175063433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).