(5-aminothiophen-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone;propane

C12H20N2O2S2 — CID 145257148

IUPAC(5-aminothiophen-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone;propane
SMILESCCC.Nc1cc(C(=O)N2CCS(=O)CC2)cs1
InChIInChI=1S/C9H12N2O2S2.C3H8/c10-8-5-7(6-14-8)9(12)11-1-3-15(13)4-2-11;1-3-2/h5-6H,1-4,10H2;3H2,1-2H3
InChIKeyYXZVOSSXCFKYPJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.95
Rot. Bonds1

About (5-aminothiophen-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone;propane

(5-aminothiophen-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone;propane (PubChem CID 145257148) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is (5-aminothiophen-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone;propane.

Molecular Properties

Compound Name(5-aminothiophen-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone;propane
PubChem CID145257148
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name(5-aminothiophen-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone;propane
SMILESCCC.Nc1cc(C(=O)N2CCS(=O)CC2)cs1
InChIInChI=1S/C9H12N2O2S2.C3H8/c10-8-5-7(6-14-8)9(12)11-1-3-15(13)4-2-11;1-3-2/h5-6H,1-4,10H2;3H2,1-2H3
InChIKeyYXZVOSSXCFKYPJ-UHFFFAOYSA-N
XLogP1.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-4-methylphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54976973
(4-amino-3-hydroxyphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 107074951
(1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone
CID 110721543
(2-amino-1,3-benzothiazol-6-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 65349015
(3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 110721506
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 66119062
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 81300975
[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(4-ethylpiperidin-1-yl)methanone
CID 79683936
(1-oxo-1,4-thiazinan-4-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 86807716
(5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 62204901
N,N,2-trimethyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide
CID 110721530
(3-fluoro-4-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 62682000

Frequently Asked Questions

What is the IUPAC name of (5-aminothiophen-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone;propane?
The IUPAC name of (5-aminothiophen-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone;propane (CID 145257148) is (5-aminothiophen-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone;propane.
What is the SMILES notation for (5-aminothiophen-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone;propane?
The canonical SMILES for (5-aminothiophen-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone;propane is CCC.Nc1cc(C(=O)N2CCS(=O)CC2)cs1.
What is the InChIKey of (5-aminothiophen-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone;propane?
The InChIKey is YXZVOSSXCFKYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S2.C3H8/c10-8-5-7(6-14-8)9(12)11-1-3-15(13)4-2-11;1-3-2/h5-6H,1-4,10H2;3H2,1-2H3.
What are the key properties of (5-aminothiophen-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone;propane?
(5-aminothiophen-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone;propane has a molecular weight of 288.44 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminothiophen-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone;propane is sourced from PubChem (CID 145257148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).