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

C14H28N2O3S — CID 80519883

IUPACN,N-dibutyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESCCCCN(CCCC)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C14H28N2O3S/c1-3-5-8-16(9-6-4-2)14(17)11-13-12-20(18,19)10-7-15-13/h13,15H,3-12H2,1-2H3
InChIKeyKOGBRPFSQPNRDK-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.19
Rot. Bonds8

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

N,N-dibutyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (PubChem CID 80519883) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N,N-dibutyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
PubChem CID80519883
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN,N-dibutyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESCCCCN(CCCC)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C14H28N2O3S/c1-3-5-8-16(9-6-4-2)14(17)11-13-12-20(18,19)10-7-15-13/h13,15H,3-12H2,1-2H3
InChIKeyKOGBRPFSQPNRDK-UHFFFAOYSA-N
XLogP1.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-ethyl-N-(3-hydroxypropyl)acetamide
CID 113468661
1-(1,1-dioxo-1,4-thiazinan-3-yl)dodecan-2-one
CID 116595448
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
CID 80520131
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide
CID 80520093
pentyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
CID 80518817
2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-ethylamino]-2-methylpropanoic acid
CID 80520889
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide
CID 115568056
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 80519802
2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 95970256
propyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
CID 80518970
2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-propan-2-ylamino]acetic acid
CID 80520157
N-butyl-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119676464

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The IUPAC name of N,N-dibutyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (CID 80519883) is N,N-dibutyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.
What is the SMILES notation for N,N-dibutyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The canonical SMILES for N,N-dibutyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is CCCCN(CCCC)C(=O)CC1CS(=O)(=O)CCN1.
What is the InChIKey of N,N-dibutyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The InChIKey is KOGBRPFSQPNRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-3-5-8-16(9-6-4-2)14(17)11-13-12-20(18,19)10-7-15-13/h13,15H,3-12H2,1-2H3.
What are the key properties of N,N-dibutyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
N,N-dibutyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide has a molecular weight of 304.46 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is sourced from PubChem (CID 80519883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).