7-amino-1-(4-methylphenyl)sulfonylheptan-2-ol

C14H23NO3S — CID 118049409

IUPAC7-amino-1-(4-methylphenyl)sulfonylheptan-2-ol
SMILESCc1ccc(S(=O)(=O)CC(O)CCCCCN)cc1
InChIInChI=1S/C14H23NO3S/c1-12-6-8-14(9-7-12)19(17,18)11-13(16)5-3-2-4-10-15/h6-9,13,16H,2-5,10-11,15H2,1H3
InChIKeyVBRJIQYHGUVMCN-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.65
Rot. Bonds8

About 7-amino-1-(4-methylphenyl)sulfonylheptan-2-ol

7-amino-1-(4-methylphenyl)sulfonylheptan-2-ol (PubChem CID 118049409) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 7-amino-1-(4-methylphenyl)sulfonylheptan-2-ol.

Molecular Properties

Compound Name7-amino-1-(4-methylphenyl)sulfonylheptan-2-ol
PubChem CID118049409
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name7-amino-1-(4-methylphenyl)sulfonylheptan-2-ol
SMILESCc1ccc(S(=O)(=O)CC(O)CCCCCN)cc1
InChIInChI=1S/C14H23NO3S/c1-12-6-8-14(9-7-12)19(17,18)11-13(16)5-3-2-4-10-15/h6-9,13,16H,2-5,10-11,15H2,1H3
InChIKeyVBRJIQYHGUVMCN-UHFFFAOYSA-N
XLogP1.65
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol
CID 79022105
1-(4-methylphenyl)sulfonylhexane-1,6-diamine
CID 18353514
decan-4-ol;4-methylbenzenesulfonic acid
CID 71369970
(2S)-1-(4-methylphenyl)sulfonyl-3-phenylpropan-2-ol
CID 14640296
3-amino-4-(4-methylphenyl)sulfonylbutan-1-ol
CID 64898402
[2-hydroxy-3-(4-methylphenyl)sulfonylpropyl] thiocyanate
CID 15054848
[(2R)-2-hydroxydecyl] 4-methylbenzenesulfonate
CID 10019415
(2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ylpropan-2-ol
CID 118527312
1-(2,2-diiodoethylsulfonyl)-4-methylbenzene
CID 10993804
1-methyl-4-[16-(4-methylphenyl)sulfonylhexadecylsulfonyl]benzene
CID 67740861
1-methyl-4-[19-(4-methylphenyl)sulfonylnonadecylsulfonyl]benzene
CID 67740848
N-(7-amino-1-chloro-2-oxoheptan-3-yl)-4-methylbenzenesulfonamide
CID 4427

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(4-methylphenyl)sulfonylheptan-2-ol?
The IUPAC name of 7-amino-1-(4-methylphenyl)sulfonylheptan-2-ol (CID 118049409) is 7-amino-1-(4-methylphenyl)sulfonylheptan-2-ol.
What is the SMILES notation for 7-amino-1-(4-methylphenyl)sulfonylheptan-2-ol?
The canonical SMILES for 7-amino-1-(4-methylphenyl)sulfonylheptan-2-ol is Cc1ccc(S(=O)(=O)CC(O)CCCCCN)cc1.
What is the InChIKey of 7-amino-1-(4-methylphenyl)sulfonylheptan-2-ol?
The InChIKey is VBRJIQYHGUVMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-12-6-8-14(9-7-12)19(17,18)11-13(16)5-3-2-4-10-15/h6-9,13,16H,2-5,10-11,15H2,1H3.
What are the key properties of 7-amino-1-(4-methylphenyl)sulfonylheptan-2-ol?
7-amino-1-(4-methylphenyl)sulfonylheptan-2-ol has a molecular weight of 285.41 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(4-methylphenyl)sulfonylheptan-2-ol is sourced from PubChem (CID 118049409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).