2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one;hydrochloride

C7H15ClN2O3S — CID 50988105

IUPAC2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one;hydrochloride
SMILESCC(N)C(=O)N1CCS(=O)(=O)CC1.Cl
InChIInChI=1S/C7H14N2O3S.ClH/c1-6(8)7(10)9-2-4-13(11,12)5-3-9;/h6H,2-5,8H2,1H3;1H
InChIKeyYILXRMFDCIDGQN-UHFFFAOYSA-N
MW242.73 g/mol
LogP-0.99
Rot. Bonds1

About 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one;hydrochloride

2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one;hydrochloride (PubChem CID 50988105) has the molecular formula C7H15ClN2O3S and a molecular weight of 242.73 g/mol. Its IUPAC name is 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one;hydrochloride
PubChem CID50988105
Molecular FormulaC7H15ClN2O3S
Molecular Weight242.73 g/mol
Exact Mass242.05
IUPAC Name2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one;hydrochloride
SMILESCC(N)C(=O)N1CCS(=O)(=O)CC1.Cl
InChIInChI=1S/C7H14N2O3S.ClH/c1-6(8)7(10)9-2-4-13(11,12)5-3-9;/h6H,2-5,8H2,1H3;1H
InChIKeyYILXRMFDCIDGQN-UHFFFAOYSA-N
XLogP-0.99
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-1-(thiomorpholin-4-yl)propan-1-one hydrochloride
CID 50988106
4-(2-(Methylsulfonyl)propanoyl)piperazin-2-one
CID 71895163
N-methyl-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-propan-2-ylpropanamide
CID 137984502
(3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one
CID 164629712
2-Amino-1-(thiomorpholin-4-yl)propan-1-one
CID 43210683
4-(2-Aminopropanoyl)-1lambda6-thiomorpholine-1,1-dione
CID 43581737
2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120811992
2-propan-2-ylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812438
2-ethylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813268
N-[1-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]-methylamino]propan-2-yl]-2-fluoro-2-methylpropanamide
CID 166370705
3-Ethyl-4-(2-methylsulfonylacetyl)piperazin-2-one
CID 18338688
(2R)-2-amino-1-(thiomorpholin-4-yl)propan-1-one
CID 28787383

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one;hydrochloride (CID 50988105) is 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one;hydrochloride is CC(N)C(=O)N1CCS(=O)(=O)CC1.Cl.
What is the InChIKey of 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one;hydrochloride?
The InChIKey is YILXRMFDCIDGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S.ClH/c1-6(8)7(10)9-2-4-13(11,12)5-3-9;/h6H,2-5,8H2,1H3;1H.
What are the key properties of 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one;hydrochloride?
2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one;hydrochloride has a molecular weight of 242.73 g/mol, XLogP of -0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 50988105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).