N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide

C11H18N2O3S — CID 114150891

IUPACN-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide
SMILESCOCC(CCN)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H18N2O3S/c1-16-9-10(7-8-12)13-17(14,15)11-5-3-2-4-6-11/h2-6,10,13H,7-9,12H2,1H3
InChIKeyDACTXWNNWVPFKY-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.33
Rot. Bonds7

About N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide

N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide (PubChem CID 114150891) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide
PubChem CID114150891
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide
SMILESCOCC(CCN)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H18N2O3S/c1-16-9-10(7-8-12)13-17(14,15)11-5-3-2-4-6-11/h2-6,10,13H,7-9,12H2,1H3
InChIKeyDACTXWNNWVPFKY-UHFFFAOYSA-N
XLogP0.33
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxybutan-2-yl)-4-phenylbenzenesulfonamide
CID 3754148
4-chloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide
CID 114151632
4-[(4-amino-1-methoxybutan-2-yl)amino]-N-ethylbenzenesulfonamide
CID 106154742
4-iodo-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]benzenesulfonamide
CID 74229527
N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide
CID 106153872
N-(4-amino-1-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 114150899
4-(bromomethyl)-N-(1-methoxy-3-phenylpropan-2-yl)benzenesulfonamide
CID 19107613
N-(4-bromo-1-methoxybutan-2-yl)-3-methylbenzenesulfonamide
CID 106158483
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 114094501
N-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114150900
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 103887495

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide?
The IUPAC name of N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide (CID 114150891) is N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide is COCC(CCN)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide?
The InChIKey is DACTXWNNWVPFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-16-9-10(7-8-12)13-17(14,15)11-5-3-2-4-6-11/h2-6,10,13H,7-9,12H2,1H3.
What are the key properties of N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide?
N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 114150891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).