4-[(2S)-2-methylmorpholin-4-yl]sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C16H21NO5S — CID 146130953

IUPAC4-[(2S)-2-methylmorpholin-4-yl]sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESC[C@H]1CN(S(=O)(=O)c2cc(C(=O)O)cc3c2CCCC3)CCO1
InChIInChI=1S/C16H21NO5S/c1-11-10-17(6-7-22-11)23(20,21)15-9-13(16(18)19)8-12-4-2-3-5-14(12)15/h8-9,11H,2-7,10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyMWHBKIFJPCHQQQ-NSHDSACASA-N
MW339.41 g/mol
LogP1.67
Rot. Bonds3

About 4-[(2S)-2-methylmorpholin-4-yl]sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

4-[(2S)-2-methylmorpholin-4-yl]sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 146130953) has the molecular formula C16H21NO5S and a molecular weight of 339.41 g/mol. Its IUPAC name is 4-[(2S)-2-methylmorpholin-4-yl]sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2S)-2-methylmorpholin-4-yl]sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID146130953
Molecular FormulaC16H21NO5S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC Name4-[(2S)-2-methylmorpholin-4-yl]sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESC[C@H]1CN(S(=O)(=O)c2cc(C(=O)O)cc3c2CCCC3)CCO1
InChIInChI=1S/C16H21NO5S/c1-11-10-17(6-7-22-11)23(20,21)15-9-13(16(18)19)8-12-4-2-3-5-14(12)15/h8-9,11H,2-7,10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyMWHBKIFJPCHQQQ-NSHDSACASA-N
XLogP1.67
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-methylmorpholin-4-yl]sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 4-[(2S)-2-methylmorpholin-4-yl]sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 146130953) is 4-[(2S)-2-methylmorpholin-4-yl]sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-[(2S)-2-methylmorpholin-4-yl]sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 4-[(2S)-2-methylmorpholin-4-yl]sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is C[C@H]1CN(S(=O)(=O)c2cc(C(=O)O)cc3c2CCCC3)CCO1.
What is the InChIKey of 4-[(2S)-2-methylmorpholin-4-yl]sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is MWHBKIFJPCHQQQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H21NO5S/c1-11-10-17(6-7-22-11)23(20,21)15-9-13(16(18)19)8-12-4-2-3-5-14(12)15/h8-9,11H,2-7,10H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 4-[(2S)-2-methylmorpholin-4-yl]sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
4-[(2S)-2-methylmorpholin-4-yl]sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 339.41 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-methylmorpholin-4-yl]sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 146130953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).