1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-amine

C7H16N2O2S — CID 43581610

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-amine
SMILESCC(N)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H16N2O2S/c1-7(8)6-9-2-4-12(10,11)5-3-9/h7H,2-6,8H2,1H3
InChIKeyGDHWDXUUUBHDSN-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.94
Rot. Bonds2

About 1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-amine

1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-amine (PubChem CID 43581610) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-amine
PubChem CID43581610
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-amine
SMILESCC(N)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H16N2O2S/c1-7(8)6-9-2-4-12(10,11)5-3-9/h7H,2-6,8H2,1H3
InChIKeyGDHWDXUUUBHDSN-UHFFFAOYSA-N
XLogP-0.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.94
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)propan-2-amine?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-amine (CID 43581610) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-amine.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-amine?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-amine is CC(N)CN1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-amine?
The InChIKey is GDHWDXUUUBHDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-7(8)6-9-2-4-12(10,11)5-3-9/h7H,2-6,8H2,1H3.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-amine?
1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-amine has a molecular weight of 192.28 g/mol, XLogP of -0.94, 2 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)propan-2-amine is sourced from PubChem (CID 43581610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).