N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

C10H20N2O3S — CID 80520375

IUPACN-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESCCC(C)NC(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C10H20N2O3S/c1-3-8(2)12-10(13)6-9-7-16(14,15)5-4-11-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyYPXCIAKQBZNVCF-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.32
Rot. Bonds4

About N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (PubChem CID 80520375) 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-dioxo-1,4-thiazinan-3-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
PubChem CID80520375
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESCCC(C)NC(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C10H20N2O3S/c1-3-8(2)12-10(13)6-9-7-16(14,15)5-4-11-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyYPXCIAKQBZNVCF-UHFFFAOYSA-N
XLogP-0.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylpentan-2-yl)acetamide
CID 80520807
2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-dimethylpropanamide
CID 80519954
(2S)-2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]pentanoic acid
CID 107565203
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 107221082
3-[[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]methyl]pentanoic acid
CID 81072350
2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 80520223
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81410503
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81409085
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 81409100
N-butan-2-yl-2-(1,1-dioxothian-3-yl)acetamide
CID 110848491
N-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 103461661
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide
CID 115568056

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (CID 80520375) is N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is CCC(C)NC(=O)CC1CS(=O)(=O)CCN1.
What is the InChIKey of N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The InChIKey is YPXCIAKQBZNVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-3-8(2)12-10(13)6-9-7-16(14,15)5-4-11-9/h8-9,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide has a molecular weight of 248.35 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is sourced from PubChem (CID 80520375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).