3-(1,1-dioxothiazinan-2-yl)-N-(2-thiophen-2-ylethyl)propanamide

C13H20N2O3S2 — CID 110687853

IUPAC3-(1,1-dioxothiazinan-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCN1CCCCS1(=O)=O)NCCc1cccs1
InChIInChI=1S/C13H20N2O3S2/c16-13(14-7-5-12-4-3-10-19-12)6-9-15-8-1-2-11-20(15,17)18/h3-4,10H,1-2,5-9,11H2,(H,14,16)
InChIKeyIAZAQRQXZYNCPA-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.22
Rot. Bonds6

About 3-(1,1-dioxothiazinan-2-yl)-N-(2-thiophen-2-ylethyl)propanamide

3-(1,1-dioxothiazinan-2-yl)-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 110687853) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID110687853
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCN1CCCCS1(=O)=O)NCCc1cccs1
InChIInChI=1S/C13H20N2O3S2/c16-13(14-7-5-12-4-3-10-19-12)6-9-15-8-1-2-11-20(15,17)18/h3-4,10H,1-2,5-9,11H2,(H,14,16)
InChIKeyIAZAQRQXZYNCPA-UHFFFAOYSA-N
XLogP1.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303
4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709
2-(thiophen-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide
CID 82127178
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 110720940
4-(thiophene-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 121496273
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
3-[4-(2-thiophen-2-ylethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61190024
3-(2-pyrrolidin-1-yl-4-pyridinyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 53185937
4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 86912732
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 17403868
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 18088940
2-[2-(hydroxymethyl)azepan-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 116637722

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(2-thiophen-2-ylethyl)propanamide (CID 110687853) is 3-(1,1-dioxothiazinan-2-yl)-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-N-(2-thiophen-2-ylethyl)propanamide is O=C(CCN1CCCCS1(=O)=O)NCCc1cccs1.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is IAZAQRQXZYNCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c16-13(14-7-5-12-4-3-10-19-12)6-9-15-8-1-2-11-20(15,17)18/h3-4,10H,1-2,5-9,11H2,(H,14,16).
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-N-(2-thiophen-2-ylethyl)propanamide?
3-(1,1-dioxothiazinan-2-yl)-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 316.45 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiazinan-2-yl)-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 110687853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).