N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide

C10H16N2O3S — CID 61123975

IUPACN-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)CN)cc1
InChIInChI=1S/C10H16N2O3S/c1-8(7-11)12-16(13,14)10-5-3-9(15-2)4-6-10/h3-6,8,12H,7,11H2,1-2H3
InChIKeyFOAYUJDWVBWTTE-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.32
Rot. Bonds5

About N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide

N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide (PubChem CID 61123975) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
PubChem CID61123975
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)CN)cc1
InChIInChI=1S/C10H16N2O3S/c1-8(7-11)12-16(13,14)10-5-3-9(15-2)4-6-10/h3-6,8,12H,7,11H2,1-2H3
InChIKeyFOAYUJDWVBWTTE-UHFFFAOYSA-N
XLogP0.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide
CID 114294306
N-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 104873326
N-(4-bromobutan-2-yl)-4-methoxybenzenesulfonamide
CID 83180710
methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 57153558
4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681894
N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide
CID 848381
N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide
CID 104873238
methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 50906677
N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide
CID 77038573
diethyl-[(4R)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium
CID 7987247
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide
CID 94012174

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide (CID 61123975) is N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)CN)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide?
The InChIKey is FOAYUJDWVBWTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-8(7-11)12-16(13,14)10-5-3-9(15-2)4-6-10/h3-6,8,12H,7,11H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide?
N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 61123975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).