1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine

C8H18N2O2S — CID 20541287

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
SMILESCCCC(N)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-2-3-8(9)10-4-6-13(11,12)7-5-10/h8H,2-7,9H2,1H3
InChIKeyHWYAXRVXMZAIIQ-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.20
Rot. Bonds3

About 1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine

1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine (PubChem CID 20541287) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
PubChem CID20541287
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
SMILESCCCC(N)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-2-3-8(9)10-4-6-13(11,12)7-5-10/h8H,2-7,9H2,1H3
InChIKeyHWYAXRVXMZAIIQ-UHFFFAOYSA-N
XLogP-0.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine (CID 20541287) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine is CCCC(N)N1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine?
The InChIKey is HWYAXRVXMZAIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-2-3-8(9)10-4-6-13(11,12)7-5-10/h8H,2-7,9H2,1H3.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine?
1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine has a molecular weight of 206.31 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine is sourced from PubChem (CID 20541287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).