1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpentane-1,1-diamine

C17H25N3O2S — CID 140980037

IUPAC1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpentane-1,1-diamine
SMILESCCCCC(N)(N)S(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C17H25N3O2S/c1-4-5-12-17(18,19)23(21,22)16-11-7-8-13-14(16)9-6-10-15(13)20(2)3/h6-11H,4-5,12,18-19H2,1-3H3
InChIKeyKDVJYDPRVAZRTE-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.44
Rot. Bonds6

About 1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpentane-1,1-diamine

1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpentane-1,1-diamine (PubChem CID 140980037) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpentane-1,1-diamine.

Molecular Properties

Compound Name1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpentane-1,1-diamine
PubChem CID140980037
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpentane-1,1-diamine
SMILESCCCCC(N)(N)S(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C17H25N3O2S/c1-4-5-12-17(18,19)23(21,22)16-11-7-8-13-14(16)9-6-10-15(13)20(2)3/h6-11H,4-5,12,18-19H2,1-3H3
InChIKeyKDVJYDPRVAZRTE-UHFFFAOYSA-N
XLogP2.44
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylhexanoic acid
CID 140556249
butyl 5-(dimethylamino)naphthalene-1-sulfonate
CID 46854645
2,3-diamino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylpropanoic acid
CID 67365284
ethyl 5-(dimethylamino)naphthalene-1-sulfonate
CID 14290422
[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino] undecanoate
CID 57013065
5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934
diethyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanedioate
CID 3860107
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride
CID 173060733
(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid
CID 14029644
5-(dimethylamino)-N-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide
CID 137348720
5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide
CID 3456348

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpentane-1,1-diamine?
The IUPAC name of 1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpentane-1,1-diamine (CID 140980037) is 1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpentane-1,1-diamine.
What is the SMILES notation for 1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpentane-1,1-diamine?
The canonical SMILES for 1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpentane-1,1-diamine is CCCCC(N)(N)S(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of 1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpentane-1,1-diamine?
The InChIKey is KDVJYDPRVAZRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-4-5-12-17(18,19)23(21,22)16-11-7-8-13-14(16)9-6-10-15(13)20(2)3/h6-11H,4-5,12,18-19H2,1-3H3.
What are the key properties of 1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpentane-1,1-diamine?
1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpentane-1,1-diamine has a molecular weight of 335.47 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpentane-1,1-diamine is sourced from PubChem (CID 140980037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).