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

C7H16N2O2S — CID 43581307

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
SMILESCC(CN)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H16N2O2S/c1-7(6-8)9-2-4-12(10,11)5-3-9/h7H,2-6,8H2,1H3
InChIKeySIYPXPNGVQSWRH-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.94
Rot. Bonds2

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

2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine (PubChem CID 43581307) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
PubChem CID43581307
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
SMILESCC(CN)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H16N2O2S/c1-7(6-8)9-2-4-12(10,11)5-3-9/h7H,2-6,8H2,1H3
InChIKeySIYPXPNGVQSWRH-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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Related Compounds

4-(3-Aminopropyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 24728054
1-(2-Methanesulfonylethyl)piperazine dihydrochloride
CID 17749885
4-(2-Aminoethyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 2760618
4-(2-Aminoethyl)thiomorpholine 1,1-dioxide dihydrochloride
CID 43810718
4-(Azetidin-3-yl)thiomorpholine 1,1-dioxide
CID 59751961
1-(2-(Methylsulfonyl)ethyl)piperazine
CID 3801959
3-Piperazin-1-ylthiolane 1,1-dioxide
CID 4962357
2-(4-Methylpiperazine-1-sulfonyl)ethan-1-amine
CID 22692376
N-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide
CID 60703057
2-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide
CID 97570293
Thiomorpholine, 3-methyl-, 1,1-dioxide
CID 14953855
(3S)-3-methyl-1lambda6-thiomorpholine-1,1-dione
CID 91666861

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine (CID 43581307) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine is CC(CN)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
The InChIKey is SIYPXPNGVQSWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-7(6-8)9-2-4-12(10,11)5-3-9/h7H,2-6,8H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-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 2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine is sourced from PubChem (CID 43581307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).