N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide

C11H18N2O3S — CID 24377

IUPACN-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide
SMILESCNC(C)C(O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C11H18N2O3S/c1-8(12-2)11(14)9-4-6-10(7-5-9)13-17(3,15)16/h4-8,11-14H,1-3H3
InChIKeyYTDJNWMSAAWJDD-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.70
Rot. Bonds5

About N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide

N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide (PubChem CID 24377) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide
PubChem CID24377
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide
SMILESCNC(C)C(O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C11H18N2O3S/c1-8(12-2)11(14)9-4-6-10(7-5-9)13-17(3,15)16/h4-8,11-14H,1-3H3
InChIKeyYTDJNWMSAAWJDD-UHFFFAOYSA-N
XLogP0.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-[4-(methanesulfonamido)phenyl]acetamide
CID 57197585
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
N-[4-(1-hydroxy-2-propan-2-ylarsanylethyl)phenyl]methanesulfonamide
CID 173166355
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
CID 67711321
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane
CID 162055565
copper;(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 90401537
[(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]thiourea
CID 142686883
(4S)-N-ethyl-4-hydroxy-4-[4-(methanesulfonamido)phenyl]butanamide
CID 10685624
(1S,2R)-1-(4-fluorophenyl)-2-(4-methylsulfonylanilino)propan-1-ol
CID 99857846
N-[4-(2-azido-1-hydroxyethyl)phenyl]methanesulfonamide
CID 90989606
4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]benzene-1,2-diol
CID 11106302

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide (CID 24377) is N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide is CNC(C)C(O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide?
The InChIKey is YTDJNWMSAAWJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8(12-2)11(14)9-4-6-10(7-5-9)13-17(3,15)16/h4-8,11-14H,1-3H3.
What are the key properties of N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide?
N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide is sourced from PubChem (CID 24377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).