7-[[2-(dimethylamino)ethylsulfonylamino]methyl]naphthalene-2-carboximidamide

C16H22N4O2S — CID 140980484

IUPAC7-[[2-(dimethylamino)ethylsulfonylamino]methyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2ccc(CNS(=O)(=O)CCN(C)C)cc2c1
InChIInChI=1S/C16H22N4O2S/c1-20(2)7-8-23(21,22)19-11-12-3-4-13-5-6-14(16(17)18)10-15(13)9-12/h3-6,9-10,19H,7-8,11H2,1-2H3,(H3,17,18)
InChIKeyPBQPDRKXWACJQA-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.10
Rot. Bonds7

About 7-[[2-(dimethylamino)ethylsulfonylamino]methyl]naphthalene-2-carboximidamide

7-[[2-(dimethylamino)ethylsulfonylamino]methyl]naphthalene-2-carboximidamide (PubChem CID 140980484) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 7-[[2-(dimethylamino)ethylsulfonylamino]methyl]naphthalene-2-carboximidamide.

Molecular Properties

Compound Name7-[[2-(dimethylamino)ethylsulfonylamino]methyl]naphthalene-2-carboximidamide
PubChem CID140980484
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name7-[[2-(dimethylamino)ethylsulfonylamino]methyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2ccc(CNS(=O)(=O)CCN(C)C)cc2c1
InChIInChI=1S/C16H22N4O2S/c1-20(2)7-8-23(21,22)19-11-12-3-4-13-5-6-14(16(17)18)10-15(13)9-12/h3-6,9-10,19H,7-8,11H2,1-2H3,(H3,17,18)
InChIKeyPBQPDRKXWACJQA-UHFFFAOYSA-N
XLogP1.10
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

7-[(2-hydroxyethylsulfonylamino)methyl]naphthalene-2-carboximidamide
CID 140980494
4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide
CID 63693518
4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide
CID 63694374
(6-carbamimidoylnaphthalen-2-yl)methylsulfonyl butanoate
CID 57163246
(6-carbamimidoylnaphthalen-2-yl) methanesulfonate
CID 13050560
4-[(cyclopropylsulfamoylamino)methyl]benzenecarboximidamide
CID 114813447
7-[[4-(1-ethanimidoylpiperidin-4-yl)oxy-N-ethylsulfonylanilino]methyl]naphthalene-2-carboximidamide
CID 15392280
7-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl-methylsulfonylamino]methyl]naphthalene-2-carboximidamide
CID 67597865
6,7-dibromonaphthalene-2-carboximidamide
CID 121232083
7-[[N-butylsulfonyl-4-(1-ethanimidoylpiperidin-4-yl)oxyanilino]methyl]naphthalene-2-carboximidamide
CID 15392310
3-[(4-methoxyphenyl)methylsulfamoyl]benzenecarboximidamide;hydrochloride
CID 71456775
7-[[3-[(4-carbamimidoylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide
CID 22136751

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(dimethylamino)ethylsulfonylamino]methyl]naphthalene-2-carboximidamide?
The IUPAC name of 7-[[2-(dimethylamino)ethylsulfonylamino]methyl]naphthalene-2-carboximidamide (CID 140980484) is 7-[[2-(dimethylamino)ethylsulfonylamino]methyl]naphthalene-2-carboximidamide.
What is the SMILES notation for 7-[[2-(dimethylamino)ethylsulfonylamino]methyl]naphthalene-2-carboximidamide?
The canonical SMILES for 7-[[2-(dimethylamino)ethylsulfonylamino]methyl]naphthalene-2-carboximidamide is [H]/N=C(\N)c1ccc2ccc(CNS(=O)(=O)CCN(C)C)cc2c1.
What is the InChIKey of 7-[[2-(dimethylamino)ethylsulfonylamino]methyl]naphthalene-2-carboximidamide?
The InChIKey is PBQPDRKXWACJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-20(2)7-8-23(21,22)19-11-12-3-4-13-5-6-14(16(17)18)10-15(13)9-12/h3-6,9-10,19H,7-8,11H2,1-2H3,(H3,17,18).
What are the key properties of 7-[[2-(dimethylamino)ethylsulfonylamino]methyl]naphthalene-2-carboximidamide?
7-[[2-(dimethylamino)ethylsulfonylamino]methyl]naphthalene-2-carboximidamide has a molecular weight of 334.45 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(dimethylamino)ethylsulfonylamino]methyl]naphthalene-2-carboximidamide is sourced from PubChem (CID 140980484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).