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

C8H18N2O2S — CID 43581193

IUPAC4-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
SMILESNCCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H18N2O2S/c9-3-1-2-4-10-5-7-13(11,12)8-6-10/h1-9H2
InChIKeyBVVTYDNCGSBYET-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.54
Rot. Bonds4

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

4-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine (PubChem CID 43581193) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
PubChem CID43581193
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
SMILESNCCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H18N2O2S/c9-3-1-2-4-10-5-7-13(11,12)8-6-10/h1-9H2
InChIKeyBVVTYDNCGSBYET-UHFFFAOYSA-N
XLogP-0.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine (CID 43581193) is 4-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine is NCCCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine?
The InChIKey is BVVTYDNCGSBYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c9-3-1-2-4-10-5-7-13(11,12)8-6-10/h1-9H2.
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine?
4-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine has a molecular weight of 206.31 g/mol, XLogP of -0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine is sourced from PubChem (CID 43581193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).