1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene

C12H20N2O3S — CID 97082572

IUPAC1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene
SMILESCC(C)COc1ccc([C@@H](C)NS(N)(=O)=O)cc1
InChIInChI=1S/C12H20N2O3S/c1-9(2)8-17-12-6-4-11(5-7-12)10(3)14-18(13,15)16/h4-7,9-10,14H,8H2,1-3H3,(H2,13,15,16)/t10-/m1/s1
InChIKeySYADHARIQQJAQI-SNVBAGLBSA-N
MW272.37 g/mol
LogP1.58
Rot. Bonds6

About 1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene

1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene (PubChem CID 97082572) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene.

Molecular Properties

Compound Name1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene
PubChem CID97082572
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene
SMILESCC(C)COc1ccc([C@@H](C)NS(N)(=O)=O)cc1
InChIInChI=1S/C12H20N2O3S/c1-9(2)8-17-12-6-4-11(5-7-12)10(3)14-18(13,15)16/h4-7,9-10,14H,8H2,1-3H3,(H2,13,15,16)/t10-/m1/s1
InChIKeySYADHARIQQJAQI-SNVBAGLBSA-N
XLogP1.58
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
methyl 2-[4-(2-methylpropoxy)phenyl]propanoate
CID 135079153
N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride
CID 84760646
2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 119815236
1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene
CID 22131571
3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine
CID 63456175
2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
CID 64570267
(2S)-2-amino-3,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide
CID 119815221
4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 120563845
2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine
CID 43105137
1-[4-(2-methylpropoxy)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905160
N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene?
The IUPAC name of 1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene (CID 97082572) is 1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene.
What is the SMILES notation for 1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene?
The canonical SMILES for 1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene is CC(C)COc1ccc([C@@H](C)NS(N)(=O)=O)cc1.
What is the InChIKey of 1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene?
The InChIKey is SYADHARIQQJAQI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9(2)8-17-12-6-4-11(5-7-12)10(3)14-18(13,15)16/h4-7,9-10,14H,8H2,1-3H3,(H2,13,15,16)/t10-/m1/s1.
What are the key properties of 1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene?
1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene has a molecular weight of 272.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene is sourced from PubChem (CID 97082572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).