N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine

C18H23N3O3S2 — CID 8565449

IUPACN-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCc1ccc(SCCNc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1
InChIInChI=1S/C18H23N3O3S2/c1-15-2-4-16(5-3-15)25-13-8-19-18-7-6-17(14-20-18)26(22,23)21-9-11-24-12-10-21/h2-7,14H,8-13H2,1H3,(H,19,20)
InChIKeySXNHOGJQSCPQEM-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.62
Rot. Bonds7

About N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine

N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 8565449) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID8565449
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC NameN-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCc1ccc(SCCNc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1
InChIInChI=1S/C18H23N3O3S2/c1-15-2-4-16(5-3-15)25-13-8-19-18-7-6-17(14-20-18)26(22,23)21-9-11-24-12-10-21/h2-7,14H,8-13H2,1H3,(H,19,20)
InChIKeySXNHOGJQSCPQEM-UHFFFAOYSA-N
XLogP2.62
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 8565448
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268105
5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
CID 9107195
N-[2-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281322
N-[2-(4-methylphenyl)sulfanylethyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55622118
methyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate
CID 9107417
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133306070
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133406165
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133350387
N-[(1-methylpiperidin-3-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133430518

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine (CID 8565449) is N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine is Cc1ccc(SCCNc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is SXNHOGJQSCPQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-15-2-4-16(5-3-15)25-13-8-19-18-7-6-17(14-20-18)26(22,23)21-9-11-24-12-10-21/h2-7,14H,8-13H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 393.53 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 8565449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).