1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-amine

C16H19NO2S — CID 114939189

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-amine
SMILESCC(C(N)c1ccc2c3c(cccc13)CC2)S(C)(=O)=O
InChIInChI=1S/C16H19NO2S/c1-10(20(2,18)19)16(17)14-9-8-12-7-6-11-4-3-5-13(14)15(11)12/h3-5,8-10,16H,6-7,17H2,1-2H3
InChIKeyJTJOJVNOWFNPAQ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.37
Rot. Bonds3

About 1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-amine

1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-amine (PubChem CID 114939189) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-amine
PubChem CID114939189
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-amine
SMILESCC(C(N)c1ccc2c3c(cccc13)CC2)S(C)(=O)=O
InChIInChI=1S/C16H19NO2S/c1-10(20(2,18)19)16(17)14-9-8-12-7-6-11-4-3-5-13(14)15(11)12/h3-5,8-10,16H,6-7,17H2,1-2H3
InChIKeyJTJOJVNOWFNPAQ-UHFFFAOYSA-N
XLogP2.37
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-bromo-2-methylsulfonylpropyl)-1,2-dihydroacenaphthylene
CID 114939698
1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine
CID 114939227
1-(4-chloronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine
CID 104518953
1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-one
CID 114939084
(1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine
CID 66510294
1-(1,2-dihydroacenaphthylen-5-yl)-N,3-dimethylbutan-1-amine
CID 114939296
1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine
CID 114939280
1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine
CID 114939245
methyl 2-[2-amino-2-(1,2-dihydroacenaphthylen-5-yl)ethoxy]acetate
CID 114939383
1,2-dihydroacenaphthylen-5-yl-(3-methylfuran-2-yl)methanamine
CID 114939239
1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine
CID 114939242
1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine
CID 82360037

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-amine (CID 114939189) is 1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-amine is CC(C(N)c1ccc2c3c(cccc13)CC2)S(C)(=O)=O.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-amine?
The InChIKey is JTJOJVNOWFNPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-10(20(2,18)19)16(17)14-9-8-12-7-6-11-4-3-5-13(14)15(11)12/h3-5,8-10,16H,6-7,17H2,1-2H3.
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-amine?
1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 114939189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).