(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid

C18H24N2O4S — CID 14029644

IUPAC(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid
SMILESCCCC[C@@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)O
InChIInChI=1S/C18H24N2O4S/c1-4-5-10-15(18(21)22)19-25(23,24)17-12-7-8-13-14(17)9-6-11-16(13)20(2)3/h6-9,11-12,15,19H,4-5,10H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyOGHUUPAEGJCGAK-OAHLLOKOSA-N
MW364.47 g/mol
LogP2.83
Rot. Bonds8

About (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid

(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid (PubChem CID 14029644) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid
PubChem CID14029644
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid
SMILESCCCC[C@@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)O
InChIInChI=1S/C18H24N2O4S/c1-4-5-10-15(18(21)22)19-25(23,24)17-12-7-8-13-14(17)9-6-11-16(13)20(2)3/h6-9,11-12,15,19H,4-5,10H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyOGHUUPAEGJCGAK-OAHLLOKOSA-N
XLogP2.83
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexanamine;2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]octanoic acid
CID 71308737
(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxy-3,3-ditritiopropanoic acid
CID 10759723
2-[[2-deuterio-5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butanoic acid
CID 54431464
2-(naphthalen-1-ylsulfonylamino)octanoic acid
CID 102208300
methyl (2S)-6-amino-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoate
CID 142152400
diethyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanedioate
CID 3860107
(2S)-2-[[(2S)-4-carboxy-2-[[(2R)-2-[[(2S)-4-carboxy-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butanoyl]amino]-3-sulfanylpropanoyl]amino]butanoyl]amino]pentanedioic acid
CID 101017269
methyl (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxypropanoate
CID 25041921
6-amino-2-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoylamino]hexanoic acid;1,3-dichloropropan-2-one
CID 21155424
5-(dimethylamino)-N-[(2S,4R,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]naphthalene-1-sulfonamide
CID 54562643
(2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-[4-[5-(dimethylamino)naphthalen-1-yl]sulfonyloxy-3,5-diiodophenyl]propanoic acid
CID 57339772
2-[[4-(dimethylamino)phenyl]sulfonylamino]hexanoic acid
CID 122070000

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid?
The IUPAC name of (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid (CID 14029644) is (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid.
What is the SMILES notation for (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid?
The canonical SMILES for (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid is CCCC[C@@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)O.
What is the InChIKey of (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid?
The InChIKey is OGHUUPAEGJCGAK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-4-5-10-15(18(21)22)19-25(23,24)17-12-7-8-13-14(17)9-6-11-16(13)20(2)3/h6-9,11-12,15,19H,4-5,10H2,1-3H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid?
(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid has a molecular weight of 364.47 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid is sourced from PubChem (CID 14029644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).