1-[1-hydroxy-3-(sulfamoylamino)propyl]-2-methylbenzene

C10H16N2O3S — CID 72703548

IUPAC1-[1-hydroxy-3-(sulfamoylamino)propyl]-2-methylbenzene
SMILESCc1ccccc1C(O)CCNS(N)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-8-4-2-3-5-9(8)10(13)6-7-12-16(11,14)15/h2-5,10,12-13H,6-7H2,1H3,(H2,11,14,15)
InChIKeyOOYGDSOCNNSRAM-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.21
Rot. Bonds5

About 1-[1-hydroxy-3-(sulfamoylamino)propyl]-2-methylbenzene

1-[1-hydroxy-3-(sulfamoylamino)propyl]-2-methylbenzene (PubChem CID 72703548) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-[1-hydroxy-3-(sulfamoylamino)propyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[1-hydroxy-3-(sulfamoylamino)propyl]-2-methylbenzene
PubChem CID72703548
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name1-[1-hydroxy-3-(sulfamoylamino)propyl]-2-methylbenzene
SMILESCc1ccccc1C(O)CCNS(N)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-8-4-2-3-5-9(8)10(13)6-7-12-16(11,14)15/h2-5,10,12-13H,6-7H2,1H3,(H2,11,14,15)
InChIKeyOOYGDSOCNNSRAM-UHFFFAOYSA-N
XLogP0.21
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[1-hydroxy-3-(sulfamoylamino)propyl]-2-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol
CID 134955174
(3S)-3-hydroxy-1-(sulfamoylamino)butane
CID 130638479
4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol
CID 62608573
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
4-hydroxy-2-methyl-4-(2-methylphenyl)butanamide
CID 174318100
1-chloro-3-fluoro-2-[1-hydroxy-3-(sulfamoylamino)propyl]benzene
CID 72703552
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide
CID 111119754
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide
CID 111433573
methyl (3R)-3-hydroxy-3-(2-methylphenyl)propanoate;hydrochloride
CID 54593844
(2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol
CID 96784262

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-3-(sulfamoylamino)propyl]-2-methylbenzene?
The IUPAC name of 1-[1-hydroxy-3-(sulfamoylamino)propyl]-2-methylbenzene (CID 72703548) is 1-[1-hydroxy-3-(sulfamoylamino)propyl]-2-methylbenzene.
What is the SMILES notation for 1-[1-hydroxy-3-(sulfamoylamino)propyl]-2-methylbenzene?
The canonical SMILES for 1-[1-hydroxy-3-(sulfamoylamino)propyl]-2-methylbenzene is Cc1ccccc1C(O)CCNS(N)(=O)=O.
What is the InChIKey of 1-[1-hydroxy-3-(sulfamoylamino)propyl]-2-methylbenzene?
The InChIKey is OOYGDSOCNNSRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-8-4-2-3-5-9(8)10(13)6-7-12-16(11,14)15/h2-5,10,12-13H,6-7H2,1H3,(H2,11,14,15).
What are the key properties of 1-[1-hydroxy-3-(sulfamoylamino)propyl]-2-methylbenzene?
1-[1-hydroxy-3-(sulfamoylamino)propyl]-2-methylbenzene has a molecular weight of 244.32 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-3-(sulfamoylamino)propyl]-2-methylbenzene is sourced from PubChem (CID 72703548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).