N-[1-(benzenesulfonyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine

C20H26N2O2S — CID 68815054

IUPACN-[1-(benzenesulfonyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1(S(=O)(=O)c2ccccc2)CCCc2ccccc21
InChIInChI=1S/C20H26N2O2S/c1-22(2)16-15-21-20(25(23,24)18-11-4-3-5-12-18)14-8-10-17-9-6-7-13-19(17)20/h3-7,9,11-13,21H,8,10,14-16H2,1-2H3
InChIKeyYOVVIYVAJUGVAE-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.80
Rot. Bonds6

About N-[1-(benzenesulfonyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine

N-[1-(benzenesulfonyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 68815054) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID68815054
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[1-(benzenesulfonyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1(S(=O)(=O)c2ccccc2)CCCc2ccccc21
InChIInChI=1S/C20H26N2O2S/c1-22(2)16-15-21-20(25(23,24)18-11-4-3-5-12-18)14-8-10-17-9-6-7-13-19(17)20/h3-7,9,11-13,21H,8,10,14-16H2,1-2H3
InChIKeyYOVVIYVAJUGVAE-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(benzenesulfonyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

1-[2-(diethylamino)ethylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 60993938
N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-diethylethane-1,2-diamine
CID 65383772
5-[3-(dimethylamino)propyl]-6,6-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-ol
CID 24834898
[1-(methylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 61054317
1-[formyl(methyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 63688156
[1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol
CID 61049623
2-(1-ethyl-2,3-dihydroinden-1-yl)-N,N-dimethylethanamine
CID 142113085
N,N-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine
CID 70072861
2-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 24876649
1-(2-propylsulfonylethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 106727810
4-(chloromethyl)-4-(2-propylsulfonylethyl)-2,3-dihydro-1H-naphthalene
CID 106734497
4,4-diethyl-2,3-dihydro-1H-naphthalene
CID 520431

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine (CID 68815054) is N-[1-(benzenesulfonyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNC1(S(=O)(=O)c2ccccc2)CCCc2ccccc21.
What is the InChIKey of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is YOVVIYVAJUGVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-22(2)16-15-21-20(25(23,24)18-11-4-3-5-12-18)14-8-10-17-9-6-7-13-19(17)20/h3-7,9,11-13,21H,8,10,14-16H2,1-2H3.
What are the key properties of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine?
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 358.51 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 68815054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).