N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine

C13H21N3O3S — CID 5268046

IUPACN-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCCCCNc1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C13H21N3O3S/c1-2-3-6-14-13-5-4-12(11-15-13)20(17,18)16-7-9-19-10-8-16/h4-5,11H,2-3,6-10H2,1H3,(H,14,15)
InChIKeyAYSFDNAKDDPJSS-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.31
Rot. Bonds6

About N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine

N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 5268046) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID5268046
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCCCCNc1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C13H21N3O3S/c1-2-3-6-14-13-5-4-12(11-15-13)20(17,18)16-7-9-19-10-8-16/h4-5,11H,2-3,6-10H2,1H3,(H,14,15)
InChIKeyAYSFDNAKDDPJSS-UHFFFAOYSA-N
XLogP1.31
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
methyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate
CID 9107417
5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
CID 9107195
N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8565449
N-[2-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281322
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133306070
5-(2-ethylmorpholin-4-yl)sulfonyl-N-propylpyridin-2-amine
CID 62146457
N-(1-ethylpiperidin-4-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8566045
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133406165
N-[(1-methylpiperidin-3-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133430518
N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268105
5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
CID 55829884

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine (CID 5268046) is N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine is CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cn1.
What is the InChIKey of N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is AYSFDNAKDDPJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-2-3-6-14-13-5-4-12(11-15-13)20(17,18)16-7-9-19-10-8-16/h4-5,11H,2-3,6-10H2,1H3,(H,14,15).
What are the key properties of N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine?
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 299.40 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 5268046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).