1-[4-(tert-butylsulfamoylamino)phenyl]-2-(cyclopropylamino)ethanol;hydrobromide

C15H26BrN3O3S — CID 21416980

IUPAC1-[4-(tert-butylsulfamoylamino)phenyl]-2-(cyclopropylamino)ethanol;hydrobromide
SMILESBr.CC(C)(C)NS(=O)(=O)Nc1ccc(C(O)CNC2CC2)cc1
InChIInChI=1S/C15H25N3O3S.BrH/c1-15(2,3)18-22(20,21)17-13-6-4-11(5-7-13)14(19)10-16-12-8-9-12;/h4-7,12,14,16-19H,8-10H2,1-3H3;1H
InChIKeyMXXCDYFIPRDIEK-UHFFFAOYSA-N
MW408.36 g/mol
LogP2.09
Rot. Bonds7

About 1-[4-(tert-butylsulfamoylamino)phenyl]-2-(cyclopropylamino)ethanol;hydrobromide

1-[4-(tert-butylsulfamoylamino)phenyl]-2-(cyclopropylamino)ethanol;hydrobromide (PubChem CID 21416980) has the molecular formula C15H26BrN3O3S and a molecular weight of 408.36 g/mol. Its IUPAC name is 1-[4-(tert-butylsulfamoylamino)phenyl]-2-(cyclopropylamino)ethanol;hydrobromide.

Molecular Properties

Compound Name1-[4-(tert-butylsulfamoylamino)phenyl]-2-(cyclopropylamino)ethanol;hydrobromide
PubChem CID21416980
Molecular FormulaC15H26BrN3O3S
Molecular Weight408.36 g/mol
Exact Mass407.09
IUPAC Name1-[4-(tert-butylsulfamoylamino)phenyl]-2-(cyclopropylamino)ethanol;hydrobromide
SMILESBr.CC(C)(C)NS(=O)(=O)Nc1ccc(C(O)CNC2CC2)cc1
InChIInChI=1S/C15H25N3O3S.BrH/c1-15(2,3)18-22(20,21)17-13-6-4-11(5-7-13)14(19)10-16-12-8-9-12;/h4-7,12,14,16-19H,8-10H2,1-3H3;1H
InChIKeyMXXCDYFIPRDIEK-UHFFFAOYSA-N
XLogP2.09
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(tert-butylsulfamoyl)-4-[(cyclopropylamino)methyl]aniline
CID 106911133
1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol
CID 62775298
2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 62414957
1-(4-aminophenyl)-2-(cyclopropylamino)ethanol
CID 115019175
1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride
CID 163728871
1-(4-chlorophenyl)-2-[(4-methylcyclohexyl)amino]ethanol
CID 60724617
1-[4-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]ethanone
CID 111422185
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60900441
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
CID 39350104
N-[4-[[4-[4-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]piperidin-1-yl]phenyl]sulfamoyl]phenyl]acetamide
CID 22220447
2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
CID 60724687

Frequently Asked Questions

What is the IUPAC name of 1-[4-(tert-butylsulfamoylamino)phenyl]-2-(cyclopropylamino)ethanol;hydrobromide?
The IUPAC name of 1-[4-(tert-butylsulfamoylamino)phenyl]-2-(cyclopropylamino)ethanol;hydrobromide (CID 21416980) is 1-[4-(tert-butylsulfamoylamino)phenyl]-2-(cyclopropylamino)ethanol;hydrobromide.
What is the SMILES notation for 1-[4-(tert-butylsulfamoylamino)phenyl]-2-(cyclopropylamino)ethanol;hydrobromide?
The canonical SMILES for 1-[4-(tert-butylsulfamoylamino)phenyl]-2-(cyclopropylamino)ethanol;hydrobromide is Br.CC(C)(C)NS(=O)(=O)Nc1ccc(C(O)CNC2CC2)cc1.
What is the InChIKey of 1-[4-(tert-butylsulfamoylamino)phenyl]-2-(cyclopropylamino)ethanol;hydrobromide?
The InChIKey is MXXCDYFIPRDIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S.BrH/c1-15(2,3)18-22(20,21)17-13-6-4-11(5-7-13)14(19)10-16-12-8-9-12;/h4-7,12,14,16-19H,8-10H2,1-3H3;1H.
What are the key properties of 1-[4-(tert-butylsulfamoylamino)phenyl]-2-(cyclopropylamino)ethanol;hydrobromide?
1-[4-(tert-butylsulfamoylamino)phenyl]-2-(cyclopropylamino)ethanol;hydrobromide has a molecular weight of 408.36 g/mol, XLogP of 2.09, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(tert-butylsulfamoylamino)phenyl]-2-(cyclopropylamino)ethanol;hydrobromide is sourced from PubChem (CID 21416980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).