[5-(aminomethyl)-2-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone

C11H15N3O2S — CID 63724908

IUPAC[5-(aminomethyl)-2-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESNCc1ccc(C(=O)N2CCS(=O)CC2)nc1
InChIInChI=1S/C11H15N3O2S/c12-7-9-1-2-10(13-8-9)11(15)14-3-5-17(16)6-4-14/h1-2,8H,3-7,12H2
InChIKeyTVAPMRXFJJUDKS-UHFFFAOYSA-N
MW253.33 g/mol
LogP-0.26
Rot. Bonds2

About [5-(aminomethyl)-2-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone

[5-(aminomethyl)-2-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 63724908) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is [5-(aminomethyl)-2-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)-2-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID63724908
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name[5-(aminomethyl)-2-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESNCc1ccc(C(=O)N2CCS(=O)CC2)nc1
InChIInChI=1S/C11H15N3O2S/c12-7-9-1-2-10(13-8-9)11(15)14-3-5-17(16)6-4-14/h1-2,8H,3-7,12H2
InChIKeyTVAPMRXFJJUDKS-UHFFFAOYSA-N
XLogP-0.26
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(aminomethyl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 63723014
[5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 63722502
1-[5-(aminomethyl)pyridine-2-carbonyl]piperidine-3-carboxamide
CID 63724885
(1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
CID 110743476
[5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63724060
4-[5-(aminomethyl)pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 63723394
5-(aminomethyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 63723539
[5-(aminomethyl)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 63723390
aziridin-1-yl-(5-methyl-2-pyridinyl)methanone
CID 126996011
5-(aminomethyl)-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 55229435
5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide
CID 55229815
5-(aminomethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 63724906

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [5-(aminomethyl)-2-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 63724908) is [5-(aminomethyl)-2-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)-2-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [5-(aminomethyl)-2-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone is NCc1ccc(C(=O)N2CCS(=O)CC2)nc1.
What is the InChIKey of [5-(aminomethyl)-2-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is TVAPMRXFJJUDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c12-7-9-1-2-10(13-8-9)11(15)14-3-5-17(16)6-4-14/h1-2,8H,3-7,12H2.
What are the key properties of [5-(aminomethyl)-2-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
[5-(aminomethyl)-2-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 253.33 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 63724908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).