5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine

C17H23N3O2S — CID 14098042

IUPAC5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine
SMILESCN(C)c1cccc2c(S(=O)(=O)N3CCCNCC3)cccc12
InChIInChI=1S/C17H23N3O2S/c1-19(2)16-8-3-7-15-14(16)6-4-9-17(15)23(21,22)20-12-5-10-18-11-13-20/h3-4,6-9,18H,5,10-13H2,1-2H3
InChIKeyYMAIFBCCZPQNAE-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.89
Rot. Bonds3

About 5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine

5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine (PubChem CID 14098042) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine.

Molecular Properties

Compound Name5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine
PubChem CID14098042
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine
SMILESCN(C)c1cccc2c(S(=O)(=O)N3CCCNCC3)cccc12
InChIInChI=1S/C17H23N3O2S/c1-19(2)16-8-3-7-15-14(16)6-4-9-17(15)23(21,22)20-12-5-10-18-11-13-20/h3-4,6-9,18H,5,10-13H2,1-2H3
InChIKeyYMAIFBCCZPQNAE-UHFFFAOYSA-N
XLogP1.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4,7-bis[[5-(dimethylamino)naphthalen-1-yl]sulfonyl]-1,4,7-triazonan-1-yl]sulfonyl]-N,N-dimethylnaphthalen-1-amine
CID 15025915
N,N-dimethyl-5-(4-nitrosopiperazin-1-yl)sulfonylnaphthalen-1-amine
CID 10383124
1-(5-methylnaphthalen-1-yl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 158195809
5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride
CID 119963237
1-naphthalen-1-ylsulfonylpiperazine
CID 42626101
1-(2,3-dichlorophenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963200
2-benzyl-5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-one;hydrochloride
CID 24757584
[4-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperazin-1-yl]-hydroxyimino-oxidoazanium
CID 136674213
N,N-dimethyl-5-[4-(1-phenylethyl)piperazin-1-yl]sulfonylnaphthalen-1-amine
CID 3845177
1-chloro-5-piperazin-1-ylsulfonylisoquinoline
CID 22393159
[5-(1,4-diazepan-1-ylsulfonyl)-1-oxoisoquinolin-2-yl]methyl 2,2-dimethylpropanoate
CID 144953257
1-(2-bromophenyl)sulfonyl-1,4-diazepane
CID 28973443

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine?
The IUPAC name of 5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine (CID 14098042) is 5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine.
What is the SMILES notation for 5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine?
The canonical SMILES for 5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine is CN(C)c1cccc2c(S(=O)(=O)N3CCCNCC3)cccc12.
What is the InChIKey of 5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine?
The InChIKey is YMAIFBCCZPQNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-19(2)16-8-3-7-15-14(16)6-4-9-17(15)23(21,22)20-12-5-10-18-11-13-20/h3-4,6-9,18H,5,10-13H2,1-2H3.
What are the key properties of 5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine?
5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine has a molecular weight of 333.46 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine is sourced from PubChem (CID 14098042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).