5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol

C17H29NO3S — CID 83927012

IUPAC5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol
SMILESCCCC(N)C(O)CC(C)c1cccc(S(=O)(=O)C(C)C)c1
InChIInChI=1S/C17H29NO3S/c1-5-7-16(18)17(19)10-13(4)14-8-6-9-15(11-14)22(20,21)12(2)3/h6,8-9,11-13,16-17,19H,5,7,10,18H2,1-4H3
InChIKeyAXMQVRZRUTYMQK-UHFFFAOYSA-N
MW327.49 g/mol
LogP2.85
Rot. Bonds8

About 5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol

5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol (PubChem CID 83927012) has the molecular formula C17H29NO3S and a molecular weight of 327.49 g/mol. Its IUPAC name is 5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol.

Molecular Properties

Compound Name5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol
PubChem CID83927012
Molecular FormulaC17H29NO3S
Molecular Weight327.49 g/mol
Exact Mass327.19
IUPAC Name5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol
SMILESCCCC(N)C(O)CC(C)c1cccc(S(=O)(=O)C(C)C)c1
InChIInChI=1S/C17H29NO3S/c1-5-7-16(18)17(19)10-13(4)14-8-6-9-15(11-14)22(20,21)12(2)3/h6,8-9,11-13,16-17,19H,5,7,10,18H2,1-4H3
InChIKeyAXMQVRZRUTYMQK-UHFFFAOYSA-N
XLogP2.85
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diamino-1-(3-propan-2-ylsulfonylphenyl)butan-1-ol
CID 83926931
5-(3-propan-2-ylsulfonylphenyl)heptan-2-amine
CID 83926965
5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol
CID 83928886
5-amino-2-(3,5-dichlorophenyl)octan-4-ol
CID 83924873
3-(3-propan-2-ylsulfonylphenyl)butanoic acid
CID 83957493
5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol
CID 83939263
5-amino-2-(4-propylphenyl)octan-4-ol
CID 83921589
4-amino-2-(methylamino)-1-(3-propan-2-ylsulfonylphenyl)butan-1-ol
CID 83926933
5-amino-2-(2,3-dimethylphenyl)octan-4-ol
CID 83922078
5-(4-propan-2-ylsulfonylphenyl)hexane-2,3-diol
CID 83927137
3-methyl-1-(3-methylsulfonylphenyl)hexan-1-ol
CID 115789020
5-amino-2-(2,5-diethylphenyl)octan-4-ol
CID 83921005

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol?
The IUPAC name of 5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol (CID 83927012) is 5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol.
What is the SMILES notation for 5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol?
The canonical SMILES for 5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol is CCCC(N)C(O)CC(C)c1cccc(S(=O)(=O)C(C)C)c1.
What is the InChIKey of 5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol?
The InChIKey is AXMQVRZRUTYMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3S/c1-5-7-16(18)17(19)10-13(4)14-8-6-9-15(11-14)22(20,21)12(2)3/h6,8-9,11-13,16-17,19H,5,7,10,18H2,1-4H3.
What are the key properties of 5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol?
5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol has a molecular weight of 327.49 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol is sourced from PubChem (CID 83927012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).