1-(benzenesulfonyl)-3-methoxypropan-2-amine

C10H15NO3S — CID 107508474

IUPAC1-(benzenesulfonyl)-3-methoxypropan-2-amine
SMILESCOCC(N)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H15NO3S/c1-14-7-9(11)8-15(12,13)10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
InChIKeyUKWBMCPEENMNME-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.43
Rot. Bonds5

About 1-(benzenesulfonyl)-3-methoxypropan-2-amine

1-(benzenesulfonyl)-3-methoxypropan-2-amine (PubChem CID 107508474) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-methoxypropan-2-amine
PubChem CID107508474
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name1-(benzenesulfonyl)-3-methoxypropan-2-amine
SMILESCOCC(N)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H15NO3S/c1-14-7-9(11)8-15(12,13)10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
InChIKeyUKWBMCPEENMNME-UHFFFAOYSA-N
XLogP0.43
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-3-methoxypropan-2-ol
CID 107508907
1-(benzenesulfonyl)propan-2-amine
CID 62917209
3-(benzenesulfonyl)-2-methylpropan-1-amine
CID 64698178
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286
2,2-diethoxyethylsulfonylbenzene
CID 11436831
2-amino-3-(4-phenoxyphenyl)sulfonylpropane-1-thiol
CID 54495806
4-(benzenesulfonyl)-3-methylbutan-1-amine
CID 115036309
1-(benzenesulfonyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 114228820
2-(2-amino-3-methoxypropyl)benzenesulfonamide
CID 63197223
3-(benzenesulfonyl)-2-methylpropan-1-ol
CID 13480680
[(E)-5-chloro-6-methoxy-2-methylhex-2-enyl]sulfonylbenzene
CID 13198641
1,4-bis(2-methoxyethylsulfonyl)benzene
CID 121011835

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-methoxypropan-2-amine?
The IUPAC name of 1-(benzenesulfonyl)-3-methoxypropan-2-amine (CID 107508474) is 1-(benzenesulfonyl)-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-methoxypropan-2-amine?
The canonical SMILES for 1-(benzenesulfonyl)-3-methoxypropan-2-amine is COCC(N)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-methoxypropan-2-amine?
The InChIKey is UKWBMCPEENMNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-14-7-9(11)8-15(12,13)10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-3-methoxypropan-2-amine?
1-(benzenesulfonyl)-3-methoxypropan-2-amine has a molecular weight of 229.30 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-methoxypropan-2-amine is sourced from PubChem (CID 107508474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).