N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide

C10H20N2O3S — CID 110687638

IUPACN-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide
SMILESCCC(C)NC(=O)CN1CCCCS1(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-3-9(2)11-10(13)8-12-6-4-5-7-16(12,14)15/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyRROPAYCBGZCXBT-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.33
Rot. Bonds4

About N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide

N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide (PubChem CID 110687638) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide
PubChem CID110687638
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide
SMILESCCC(C)NC(=O)CN1CCCCS1(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-3-9(2)11-10(13)8-12-6-4-5-7-16(12,14)15/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyRROPAYCBGZCXBT-UHFFFAOYSA-N
XLogP0.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687817
2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-3-methylbutanoic acid
CID 119348327
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120654491
N-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687634
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide
CID 110720874
2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetohydrazide
CID 14668524
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methylbutan-2-yl)acetamide
CID 47235152
2-(1,1-dioxothiazinan-2-yl)-N-(3-methoxypropyl)acetamide
CID 110687646
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 86852245
N-(3-acetylphenyl)-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687768
1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 113431112
2-(1,1-dioxothiazinan-2-yl)-N-pyrimidin-2-ylacetamide
CID 110687779

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide (CID 110687638) is N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide is CCC(C)NC(=O)CN1CCCCS1(=O)=O.
What is the InChIKey of N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide?
The InChIKey is RROPAYCBGZCXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-3-9(2)11-10(13)8-12-6-4-5-7-16(12,14)15/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide?
N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide has a molecular weight of 248.35 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide is sourced from PubChem (CID 110687638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).