methyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate

C16H25N3O5S — CID 9107417

IUPACmethyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate
SMILESCOC(=O)CCCCCNc1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C16H25N3O5S/c1-23-16(20)5-3-2-4-8-17-15-7-6-14(13-18-15)25(21,22)19-9-11-24-12-10-19/h6-7,13H,2-5,8-12H2,1H3,(H,17,18)
InChIKeyCBBVWEKEABQZSN-UHFFFAOYSA-N
MW371.46 g/mol
LogP1.25
Rot. Bonds9

About methyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate

methyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate (PubChem CID 9107417) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is methyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate
PubChem CID9107417
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC Namemethyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate
SMILESCOC(=O)CCCCCNc1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C16H25N3O5S/c1-23-16(20)5-3-2-4-8-17-15-7-6-14(13-18-15)25(21,22)19-9-11-24-12-10-19/h6-7,13H,2-5,8-12H2,1H3,(H,17,18)
InChIKeyCBBVWEKEABQZSN-UHFFFAOYSA-N
XLogP1.25
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
N-[2-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281322
N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8565449
5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
CID 9107195
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate
CID 9112932
methyl 3-(4-morpholin-4-ylsulfonylphenyl)-3-oxopropanoate
CID 118538510
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133306070
N-(1-ethylpiperidin-4-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8566045
3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 55365489
5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
CID 55829884
methyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate
CID 18095375

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate?
The IUPAC name of methyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate (CID 9107417) is methyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate is COC(=O)CCCCCNc1ccc(S(=O)(=O)N2CCOCC2)cn1.
What is the InChIKey of methyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate?
The InChIKey is CBBVWEKEABQZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-23-16(20)5-3-2-4-8-17-15-7-6-14(13-18-15)25(21,22)19-9-11-24-12-10-19/h6-7,13H,2-5,8-12H2,1H3,(H,17,18).
What are the key properties of methyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate?
methyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate has a molecular weight of 371.46 g/mol, XLogP of 1.25, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate is sourced from PubChem (CID 9107417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).