1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol

C15H19NO3S — CID 61019837

IUPAC1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol
SMILESCS(=O)(=O)CCCNCc1c(O)ccc2ccccc12
InChIInChI=1S/C15H19NO3S/c1-20(18,19)10-4-9-16-11-14-13-6-3-2-5-12(13)7-8-15(14)17/h2-3,5-8,16-17H,4,9-11H2,1H3
InChIKeyNKMSYPUPKMTUAK-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.07
Rot. Bonds6

About 1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol

1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol (PubChem CID 61019837) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol
PubChem CID61019837
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol
SMILESCS(=O)(=O)CCCNCc1c(O)ccc2ccccc12
InChIInChI=1S/C15H19NO3S/c1-20(18,19)10-4-9-16-11-14-13-6-3-2-5-12(13)7-8-15(14)17/h2-3,5-8,16-17H,4,9-11H2,1H3
InChIKeyNKMSYPUPKMTUAK-UHFFFAOYSA-N
XLogP2.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-hydroxynaphthalen-1-yl)methylamino]ethanesulfonamide
CID 43551924
1-[(octylamino)methyl]naphthalen-2-ol
CID 44531481
1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol
CID 115632450
1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol
CID 43824878
1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol
CID 28720750
1-[(pent-3-ynylamino)methyl]naphthalen-2-ol
CID 116642987
1-[[methyl(2-methylsulfonylethyl)amino]methyl]naphthalen-2-ol
CID 78924775
3-methylsulfonyl-N-(naphthalen-2-ylmethyl)propan-1-amine
CID 54905759
N,N'-bis[(2-propan-2-yloxynaphthalen-1-yl)methyl]hexane-1,6-diamine;methanesulfonic acid
CID 44531928
1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol
CID 61166416
1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol
CID 63933523
2-[(2-hydroxynaphthalen-1-yl)methylamino]-N,N-dimethylacetamide
CID 43310908

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol (CID 61019837) is 1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol is CS(=O)(=O)CCCNCc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol?
The InChIKey is NKMSYPUPKMTUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-20(18,19)10-4-9-16-11-14-13-6-3-2-5-12(13)7-8-15(14)17/h2-3,5-8,16-17H,4,9-11H2,1H3.
What are the key properties of 1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol?
1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol has a molecular weight of 293.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol is sourced from PubChem (CID 61019837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).