[2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone

C12H17N3OS — CID 55042424

IUPAC[2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone
SMILESCCNc1cc(C(=O)N2CCSCC2)ccn1
InChIInChI=1S/C12H17N3OS/c1-2-13-11-9-10(3-4-14-11)12(16)15-5-7-17-8-6-15/h3-4,9H,2,5-8H2,1H3,(H,13,14)
InChIKeyVAIGZPWYEUIOTM-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.70
Rot. Bonds3

About [2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone

[2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone (PubChem CID 55042424) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is [2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone
PubChem CID55042424
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name[2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone
SMILESCCNc1cc(C(=O)N2CCSCC2)ccn1
InChIInChI=1S/C12H17N3OS/c1-2-13-11-9-10(3-4-14-11)12(16)15-5-7-17-8-6-15/h3-4,9H,2,5-8H2,1H3,(H,13,14)
InChIKeyVAIGZPWYEUIOTM-UHFFFAOYSA-N
XLogP1.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62942527
[2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63614802
[3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone
CID 63174668
(2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone
CID 103738174
3,4-dihydro-2H-quinolin-1-yl-[2-(ethylamino)-4-pyridinyl]methanone
CID 62172303
[2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83173918
[4-(ethylamino)-3-nitrophenyl]-thiomorpholin-4-ylmethanone
CID 62165238
[6-(ethylamino)pyridazin-3-yl]-(1,4-thiazepan-4-yl)methanone
CID 62177814
N,N-diethyl-2-(ethylamino)pyridine-4-carboxamide
CID 62172696
ethyl 4-[2-[2-(dimethylamino)ethylamino]pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109167814
N-cyclopentyl-2-(ethylamino)pyridine-4-carboxamide
CID 62173243
N-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine
CID 62152799

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone (CID 55042424) is [2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone is CCNc1cc(C(=O)N2CCSCC2)ccn1.
What is the InChIKey of [2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone?
The InChIKey is VAIGZPWYEUIOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-2-13-11-9-10(3-4-14-11)12(16)15-5-7-17-8-6-15/h3-4,9H,2,5-8H2,1H3,(H,13,14).
What are the key properties of [2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone?
[2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone has a molecular weight of 251.35 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 55042424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).