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

C10H16N2O3S — CID 141353715

IUPAC4-(1-aminopropan-2-yl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(C(C)CN)ccc1S(N)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-7(6-11)8-3-4-10(16(12,13)14)9(5-8)15-2/h3-5,7H,6,11H2,1-2H3,(H2,12,13,14)
InChIKeyFBHGVITVJDPRNA-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.40
Rot. Bonds4

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

4-(1-aminopropan-2-yl)-2-methoxybenzenesulfonamide (PubChem CID 141353715) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminopropan-2-yl)-2-methoxybenzenesulfonamide
PubChem CID141353715
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name4-(1-aminopropan-2-yl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(C(C)CN)ccc1S(N)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-7(6-11)8-3-4-10(16(12,13)14)9(5-8)15-2/h3-5,7H,6,11H2,1-2H3,(H2,12,13,14)
InChIKeyFBHGVITVJDPRNA-UHFFFAOYSA-N
XLogP0.40
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475
4-bromo-2-methoxybenzenesulfonamide
CID 21129172
2-(3-bromo-4-propan-2-ylsulfonylphenyl)propan-1-amine
CID 105424731
2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704500
2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide
CID 110758402
4-(difluoromethylsulfonylamino)-2-methoxybenzenesulfonamide
CID 43246875
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343381
2-methoxy-4-(2-oxopropyl)benzenesulfonamide
CID 163498161
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
4-methoxy-2-propan-2-yloxybenzenesulfonamide
CID 69224497

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-(1-aminopropan-2-yl)-2-methoxybenzenesulfonamide (CID 141353715) is 4-(1-aminopropan-2-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-(1-aminopropan-2-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-(1-aminopropan-2-yl)-2-methoxybenzenesulfonamide is COc1cc(C(C)CN)ccc1S(N)(=O)=O.
What is the InChIKey of 4-(1-aminopropan-2-yl)-2-methoxybenzenesulfonamide?
The InChIKey is FBHGVITVJDPRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-7(6-11)8-3-4-10(16(12,13)14)9(5-8)15-2/h3-5,7H,6,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-(1-aminopropan-2-yl)-2-methoxybenzenesulfonamide?
4-(1-aminopropan-2-yl)-2-methoxybenzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 141353715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).