2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]ethyl N-aminocarbamate

C16H22N4O4S — CID 70810373

IUPAC2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]ethyl N-aminocarbamate
SMILESCN(C)c1cccc2c(S(=O)(=O)N(C)CCOC(=O)NN)cccc12
InChIInChI=1S/C16H22N4O4S/c1-19(2)14-8-4-7-13-12(14)6-5-9-15(13)25(22,23)20(3)10-11-24-16(21)18-17/h4-9H,10-11,17H2,1-3H3,(H,18,21)
InChIKeyRLIAOGCQLHQBNG-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.13
Rot. Bonds6

About 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]ethyl N-aminocarbamate

2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]ethyl N-aminocarbamate (PubChem CID 70810373) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]ethyl N-aminocarbamate.

Molecular Properties

Compound Name2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]ethyl N-aminocarbamate
PubChem CID70810373
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]ethyl N-aminocarbamate
SMILESCN(C)c1cccc2c(S(=O)(=O)N(C)CCOC(=O)NN)cccc12
InChIInChI=1S/C16H22N4O4S/c1-19(2)14-8-4-7-13-12(14)6-5-9-15(13)25(22,23)20(3)10-11-24-16(21)18-17/h4-9H,10-11,17H2,1-3H3,(H,18,21)
InChIKeyRLIAOGCQLHQBNG-UHFFFAOYSA-N
XLogP1.13
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]acetyl]oxyethyl-trimethylazanium
CID 162767504
3-[5-(dimethylamino)naphthalen-1-yl]sulfonyliminopentanedioic acid
CID 10571679
2-[5-(dimethylamino)naphthalen-1-yl]sulfonylethyl carbonochloridate
CID 10991480
2-[3-[3-[carboxymethyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propyl-methylamino]propyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetic acid;ethane
CID 142835532
diethyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanedioate
CID 3860107
1-N,5-N-dimethyl-1-N,5-N-dipropylnaphthalene-1,5-disulfonamide
CID 54492944
2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl prop-2-ynoate
CID 170856982
methyl (2S)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-2-methylpropanoate
CID 100613997
5-(dimethylamino)-N,N-bis[4-[4-(ethylamino)butylamino]butyl]naphthalene-1-sulfonamide
CID 102092589
methyl (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxypropanoate
CID 25041921
sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride
CID 173060733
2-amino-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61125296

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]ethyl N-aminocarbamate?
The IUPAC name of 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]ethyl N-aminocarbamate (CID 70810373) is 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]ethyl N-aminocarbamate.
What is the SMILES notation for 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]ethyl N-aminocarbamate?
The canonical SMILES for 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]ethyl N-aminocarbamate is CN(C)c1cccc2c(S(=O)(=O)N(C)CCOC(=O)NN)cccc12.
What is the InChIKey of 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]ethyl N-aminocarbamate?
The InChIKey is RLIAOGCQLHQBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-19(2)14-8-4-7-13-12(14)6-5-9-15(13)25(22,23)20(3)10-11-24-16(21)18-17/h4-9H,10-11,17H2,1-3H3,(H,18,21).
What are the key properties of 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]ethyl N-aminocarbamate?
2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]ethyl N-aminocarbamate has a molecular weight of 366.44 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]ethyl N-aminocarbamate is sourced from PubChem (CID 70810373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).