3-amino-4-(2-methylphenyl)sulfonylbutan-1-ol

C11H17NO3S — CID 64899074

IUPAC3-amino-4-(2-methylphenyl)sulfonylbutan-1-ol
SMILESCc1ccccc1S(=O)(=O)CC(N)CCO
InChIInChI=1S/C11H17NO3S/c1-9-4-2-3-5-11(9)16(14,15)8-10(12)6-7-13/h2-5,10,13H,6-8,12H2,1H3
InChIKeyGNDJMWPSMUHXJX-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.48
Rot. Bonds5

About 3-amino-4-(2-methylphenyl)sulfonylbutan-1-ol

3-amino-4-(2-methylphenyl)sulfonylbutan-1-ol (PubChem CID 64899074) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-amino-4-(2-methylphenyl)sulfonylbutan-1-ol.

Molecular Properties

Compound Name3-amino-4-(2-methylphenyl)sulfonylbutan-1-ol
PubChem CID64899074
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name3-amino-4-(2-methylphenyl)sulfonylbutan-1-ol
SMILESCc1ccccc1S(=O)(=O)CC(N)CCO
InChIInChI=1S/C11H17NO3S/c1-9-4-2-3-5-11(9)16(14,15)8-10(12)6-7-13/h2-5,10,13H,6-8,12H2,1H3
InChIKeyGNDJMWPSMUHXJX-UHFFFAOYSA-N
XLogP0.48
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol
CID 64897992
3-amino-4-(2-nitrophenyl)sulfonylbutan-1-ol
CID 64898211
3-amino-4-(4-methylphenyl)sulfonylbutan-1-ol
CID 64898402
2-(2-methylphenyl)sulfonylacetamide
CID 47361891
2-methyl-3-(2-methylphenyl)sulfonylpropanenitrile
CID 64692244
1-(2-methylphenyl)sulfonyl-N-propylpentan-2-amine
CID 64674005
2-(2-methylphenyl)sulfonyl-1-phenylethanone
CID 53400632
4-amino-2-(2-methylphenyl)sulfonylbutanoic acid
CID 64693402
4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol
CID 71317728
ethyl 2-(2-methylphenyl)sulfonylacetate
CID 60891426
2-methylbenzenesulfonic acid;propane-1,2,3-triol
CID 174914041
2-methylbenzenesulfonamide
CID 6924

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-methylphenyl)sulfonylbutan-1-ol?
The IUPAC name of 3-amino-4-(2-methylphenyl)sulfonylbutan-1-ol (CID 64899074) is 3-amino-4-(2-methylphenyl)sulfonylbutan-1-ol.
What is the SMILES notation for 3-amino-4-(2-methylphenyl)sulfonylbutan-1-ol?
The canonical SMILES for 3-amino-4-(2-methylphenyl)sulfonylbutan-1-ol is Cc1ccccc1S(=O)(=O)CC(N)CCO.
What is the InChIKey of 3-amino-4-(2-methylphenyl)sulfonylbutan-1-ol?
The InChIKey is GNDJMWPSMUHXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-9-4-2-3-5-11(9)16(14,15)8-10(12)6-7-13/h2-5,10,13H,6-8,12H2,1H3.
What are the key properties of 3-amino-4-(2-methylphenyl)sulfonylbutan-1-ol?
3-amino-4-(2-methylphenyl)sulfonylbutan-1-ol has a molecular weight of 243.33 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-methylphenyl)sulfonylbutan-1-ol is sourced from PubChem (CID 64899074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).