[5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine

C10H14ClN3O2S — CID 62286351

IUPAC[5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
SMILESNCc1cnc(N2CCS(=O)(=O)CC2)c(Cl)c1
InChIInChI=1S/C10H14ClN3O2S/c11-9-5-8(6-12)7-13-10(9)14-1-3-17(15,16)4-2-14/h5,7H,1-4,6,12H2
InChIKeyXPNSGHHDFAMLAG-UHFFFAOYSA-N
MW275.76 g/mol
LogP0.43
Rot. Bonds2

About [5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine

[5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine (PubChem CID 62286351) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is [5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
PubChem CID62286351
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name[5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
SMILESNCc1cnc(N2CCS(=O)(=O)CC2)c(Cl)c1
InChIInChI=1S/C10H14ClN3O2S/c11-9-5-8(6-12)7-13-10(9)14-1-3-17(15,16)4-2-14/h5,7H,1-4,6,12H2
InChIKeyXPNSGHHDFAMLAG-UHFFFAOYSA-N
XLogP0.43
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-chloro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 62298416
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 43581088
[5-chloro-6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62300014
3-[3-chloro-5-(chloromethyl)-2-pyridinyl]-3-azaspiro[5.5]undecane
CID 63445999
1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]butan-2-amine
CID 80634124
[5-chloro-6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62330220
[5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 62299264
4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 123796335
2-[4-[3-chloro-5-(chloromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 61255318
3-chloro-5-(chloromethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine
CID 63159235
4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 114920871
[3-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanamine
CID 55054497

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine?
The IUPAC name of [5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine (CID 62286351) is [5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine is NCc1cnc(N2CCS(=O)(=O)CC2)c(Cl)c1.
What is the InChIKey of [5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine?
The InChIKey is XPNSGHHDFAMLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c11-9-5-8(6-12)7-13-10(9)14-1-3-17(15,16)4-2-14/h5,7H,1-4,6,12H2.
What are the key properties of [5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine?
[5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine has a molecular weight of 275.76 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 62286351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).