N'-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylethane-1,2-diamine

C19H24N2O2S — CID 11523041

IUPACN'-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylethane-1,2-diamine
SMILESCNCCNC1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C19H24N2O2S/c1-20-12-13-21-19-9-5-6-15-14-17(10-11-18(15)19)24(22,23)16-7-3-2-4-8-16/h2-4,7-8,10-11,14,19-21H,5-6,9,12-13H2,1H3
InChIKeyWOTZELCDUPANQR-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.71
Rot. Bonds6

About N'-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylethane-1,2-diamine

N'-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylethane-1,2-diamine (PubChem CID 11523041) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N'-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylethane-1,2-diamine
PubChem CID11523041
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN'-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylethane-1,2-diamine
SMILESCNCCNC1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C19H24N2O2S/c1-20-12-13-21-19-9-5-6-15-14-17(10-11-18(15)19)24(22,23)16-7-3-2-4-8-16/h2-4,7-8,10-11,14,19-21H,5-6,9,12-13H2,1H3
InChIKeyWOTZELCDUPANQR-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.71
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

2-[[7-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-N-methylethanamine
CID 11609894
(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 59850114
6-(benzenesulfonyl)-1-(3-methylbutyl)-1,2,3,4-tetrahydronaphthalene
CID 162148460
6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59021826
N'-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonohydrazide
CID 124639032
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(methylamino)acetamide
CID 46890884
6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115324453
3-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N'-[[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(diaminomethylideneamino)propanimidamide
CID 123672383
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43087276
2-[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 66651542

Frequently Asked Questions

What is the IUPAC name of N'-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylethane-1,2-diamine (CID 11523041) is N'-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylethane-1,2-diamine is CNCCNC1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21.
What is the InChIKey of N'-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylethane-1,2-diamine?
The InChIKey is WOTZELCDUPANQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-20-12-13-21-19-9-5-6-15-14-17(10-11-18(15)19)24(22,23)16-7-3-2-4-8-16/h2-4,7-8,10-11,14,19-21H,5-6,9,12-13H2,1H3.
What are the key properties of N'-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylethane-1,2-diamine?
N'-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylethane-1,2-diamine has a molecular weight of 344.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 11523041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).