3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine

C7H16N2O2S — CID 24728054

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
SMILESNCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H16N2O2S/c8-2-1-3-9-4-6-12(10,11)7-5-9/h1-8H2
InChIKeyFSRMWCVZAUEPEQ-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.93
Rot. Bonds3

About 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine

3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine (PubChem CID 24728054) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
PubChem CID24728054
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
SMILESNCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H16N2O2S/c8-2-1-3-9-4-6-12(10,11)7-5-9/h1-8H2
InChIKeyFSRMWCVZAUEPEQ-UHFFFAOYSA-N
XLogP-0.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Aminoethyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 2760618
4-(2-Aminoethyl)thiomorpholine 1,1-dioxide dihydrochloride
CID 43810718
2-Methylthiomorpholine 1,1-dioxide
CID 14953860
2,6-Dimethylthiomorpholine 1,1-dioxide
CID 61795481
(2R)-2-Methyl-1lambda6-thiomorpholine-1,1-dione
CID 92981086
(2S)-2-Methyl-1lambda6-thiomorpholine-1,1-dione
CID 92981087
4-(3-Amino-2,2-difluoropropyl)-1lambda6-thiomorpholine-1,1-dione
CID 114384550
1-(1,1-Dioxo-1,4-thiazinan-4-yl)butan-1-amine
CID 20541287
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylethanamine
CID 20747445
4-(3-Aminopropyl)-1lambda~4~,4-thiazinan-1-one
CID 24728622
4-Propan-2-yl-1,4-thiazinan-4-ium 1,1-dioxide
CID 40432164
4-(1,1-Dioxo-1,4-thiazinan-4-yl)butan-1-amine
CID 43581193

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine (CID 24728054) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine is NCCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
The InChIKey is FSRMWCVZAUEPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c8-2-1-3-9-4-6-12(10,11)7-5-9/h1-8H2.
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine has a molecular weight of 192.28 g/mol, XLogP of -0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine is sourced from PubChem (CID 24728054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).