1-[1-[cyclopropylsulfamoyl(methyl)amino]ethyl]-4-hydroxybenzene

C12H18N2O3S — CID 114809127

IUPAC1-[1-[cyclopropylsulfamoyl(methyl)amino]ethyl]-4-hydroxybenzene
SMILESCC(c1ccc(O)cc1)N(C)S(=O)(=O)NC1CC1
InChIInChI=1S/C12H18N2O3S/c1-9(10-3-7-12(15)8-4-10)14(2)18(16,17)13-11-5-6-11/h3-4,7-9,11,13,15H,5-6H2,1-2H3
InChIKeyOODZVXSVTCKETP-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.38
Rot. Bonds5

About 1-[1-[cyclopropylsulfamoyl(methyl)amino]ethyl]-4-hydroxybenzene

1-[1-[cyclopropylsulfamoyl(methyl)amino]ethyl]-4-hydroxybenzene (PubChem CID 114809127) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-[1-[cyclopropylsulfamoyl(methyl)amino]ethyl]-4-hydroxybenzene.

Molecular Properties

Compound Name1-[1-[cyclopropylsulfamoyl(methyl)amino]ethyl]-4-hydroxybenzene
PubChem CID114809127
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name1-[1-[cyclopropylsulfamoyl(methyl)amino]ethyl]-4-hydroxybenzene
SMILESCC(c1ccc(O)cc1)N(C)S(=O)(=O)NC1CC1
InChIInChI=1S/C12H18N2O3S/c1-9(10-3-7-12(15)8-4-10)14(2)18(16,17)13-11-5-6-11/h3-4,7-9,11,13,15H,5-6H2,1-2H3
InChIKeyOODZVXSVTCKETP-UHFFFAOYSA-N
XLogP1.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 61455775
4-[1-(dimethylamino)ethyl]phenol
CID 3029886
2,5-dichloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-3-sulfonamide
CID 61043471
N-[1-(4-hydroxyphenyl)ethyl]-2-methoxy-N-methylethanesulfonamide
CID 55014354
1-(ethylamino)-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 54947723
4-(cyclopropylsulfamoyl)-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 26010203
(3aS,7aR)-5-[[methyl(propan-2-yl)sulfamoyl]amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
CID 54947722
4-[1-(1-cyclohexylethylamino)ethyl]phenol
CID 62405535
1-amino-4-[cyclopropylsulfamoyl(methyl)amino]benzene
CID 114804293
3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
CID 46647625
N-[1-(4-hydroxyphenyl)ethyl]-N-methylcyclohex-3-ene-1-carboxamide
CID 54913063
3-[(1S)-1-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]-methylamino]ethyl]phenol
CID 98852376

Frequently Asked Questions

What is the IUPAC name of 1-[1-[cyclopropylsulfamoyl(methyl)amino]ethyl]-4-hydroxybenzene?
The IUPAC name of 1-[1-[cyclopropylsulfamoyl(methyl)amino]ethyl]-4-hydroxybenzene (CID 114809127) is 1-[1-[cyclopropylsulfamoyl(methyl)amino]ethyl]-4-hydroxybenzene.
What is the SMILES notation for 1-[1-[cyclopropylsulfamoyl(methyl)amino]ethyl]-4-hydroxybenzene?
The canonical SMILES for 1-[1-[cyclopropylsulfamoyl(methyl)amino]ethyl]-4-hydroxybenzene is CC(c1ccc(O)cc1)N(C)S(=O)(=O)NC1CC1.
What is the InChIKey of 1-[1-[cyclopropylsulfamoyl(methyl)amino]ethyl]-4-hydroxybenzene?
The InChIKey is OODZVXSVTCKETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(10-3-7-12(15)8-4-10)14(2)18(16,17)13-11-5-6-11/h3-4,7-9,11,13,15H,5-6H2,1-2H3.
What are the key properties of 1-[1-[cyclopropylsulfamoyl(methyl)amino]ethyl]-4-hydroxybenzene?
1-[1-[cyclopropylsulfamoyl(methyl)amino]ethyl]-4-hydroxybenzene has a molecular weight of 270.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[cyclopropylsulfamoyl(methyl)amino]ethyl]-4-hydroxybenzene is sourced from PubChem (CID 114809127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).