(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino](114C)propanoic acid

C15H18N2O4S — CID 10829820

IUPAC(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino](114C)propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)[14C](=O)O
InChIInChI=1S/C15H18N2O4S/c1-10(15(18)19)16-22(20,21)14-9-5-6-11-12(14)7-4-8-13(11)17(2)3/h4-10,16H,1-3H3,(H,18,19)/t10-/m1/s1/i15+2
InChIKeyJCIYZTBXUJCAMW-XQCSRFCOSA-N
MW324.38 g/mol
LogP1.66
Rot. Bonds5

About (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino](114C)propanoic acid

(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino](114C)propanoic acid (PubChem CID 10829820) has the molecular formula C15H18N2O4S and a molecular weight of 324.38 g/mol. Its IUPAC name is (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino](114C)propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino](114C)propanoic acid
PubChem CID10829820
Molecular FormulaC15H18N2O4S
Molecular Weight324.38 g/mol
Exact Mass324.10
IUPAC Name(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino](114C)propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)[14C](=O)O
InChIInChI=1S/C15H18N2O4S/c1-10(15(18)19)16-22(20,21)14-9-5-6-11-12(14)7-4-8-13(11)17(2)3/h4-10,16H,1-3H3,(H,18,19)/t10-/m1/s1/i15+2
InChIKeyJCIYZTBXUJCAMW-XQCSRFCOSA-N
XLogP1.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanedioate
CID 3860107
N-[(1R,2R)-2-amino-1,2-diphenylethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10259280
2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoate;piperidin-1-ium
CID 75059472
5-(dimethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
CID 74227480
(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxy-3,3-ditritiopropanoic acid
CID 10759723
methyl (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxypropanoate
CID 25041921
6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxyheptanamide
CID 87562715
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
CID 18702175
cyclohexanamine;(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-methylbutanoic acid
CID 133126825
(2S,3R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxybutanoate;piperidin-1-ium
CID 44630247
(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid
CID 14029644

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino](114C)propanoic acid?
The IUPAC name of (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino](114C)propanoic acid (CID 10829820) is (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino](114C)propanoic acid.
What is the SMILES notation for (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino](114C)propanoic acid?
The canonical SMILES for (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino](114C)propanoic acid is C[C@@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)[14C](=O)O.
What is the InChIKey of (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino](114C)propanoic acid?
The InChIKey is JCIYZTBXUJCAMW-XQCSRFCOSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-10(15(18)19)16-22(20,21)14-9-5-6-11-12(14)7-4-8-13(11)17(2)3/h4-10,16H,1-3H3,(H,18,19)/t10-/m1/s1/i15+2.
What are the key properties of (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino](114C)propanoic acid?
(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino](114C)propanoic acid has a molecular weight of 324.38 g/mol, XLogP of 1.66, 5 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](114C)propanoic acid is sourced from PubChem (CID 10829820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).