2-[3-(1-oxo-1,4-thiazinan-4-yl)propyl]benzamide

C14H20N2O2S — CID 142798440

IUPAC2-[3-(1-oxo-1,4-thiazinan-4-yl)propyl]benzamide
SMILESNC(=O)c1ccccc1CCCN1CCS(=O)CC1
InChIInChI=1S/C14H20N2O2S/c15-14(17)13-6-2-1-4-12(13)5-3-7-16-8-10-19(18)11-9-16/h1-2,4,6H,3,5,7-11H2,(H2,15,17)
InChIKeyVBTLOHLLTBBHAN-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.78
Rot. Bonds5

About 2-[3-(1-oxo-1,4-thiazinan-4-yl)propyl]benzamide

2-[3-(1-oxo-1,4-thiazinan-4-yl)propyl]benzamide (PubChem CID 142798440) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[3-(1-oxo-1,4-thiazinan-4-yl)propyl]benzamide.

Molecular Properties

Compound Name2-[3-(1-oxo-1,4-thiazinan-4-yl)propyl]benzamide
PubChem CID142798440
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-[3-(1-oxo-1,4-thiazinan-4-yl)propyl]benzamide
SMILESNC(=O)c1ccccc1CCCN1CCS(=O)CC1
InChIInChI=1S/C14H20N2O2S/c15-14(17)13-6-2-1-4-12(13)5-3-7-16-8-10-19(18)11-9-16/h1-2,4,6H,3,5,7-11H2,(H2,15,17)
InChIKeyVBTLOHLLTBBHAN-UHFFFAOYSA-N
XLogP0.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloropropyl)benzamide
CID 135741565
2-butylbenzamide
CID 15468173
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CID 173169536
2-[3-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]propyl]benzamide
CID 173148146
2-(4-piperazin-1-ylbutyl)benzoic acid
CID 83954010
2-octylbenzamide
CID 11148995
3-[4-[(2-carbamoylphenyl)methyl]piperazin-1-yl]propanoic acid
CID 43522420
2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide
CID 55097569
2-amino-4-(1-oxo-1,4-thiazinan-4-yl)-2-phenylbutanamide
CID 116693803
2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide
CID 69180819
1-(2-bromophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 54977317
2-[7-(hydroxyamino)-7-oxoheptyl]benzamide
CID 87127603

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-oxo-1,4-thiazinan-4-yl)propyl]benzamide?
The IUPAC name of 2-[3-(1-oxo-1,4-thiazinan-4-yl)propyl]benzamide (CID 142798440) is 2-[3-(1-oxo-1,4-thiazinan-4-yl)propyl]benzamide.
What is the SMILES notation for 2-[3-(1-oxo-1,4-thiazinan-4-yl)propyl]benzamide?
The canonical SMILES for 2-[3-(1-oxo-1,4-thiazinan-4-yl)propyl]benzamide is NC(=O)c1ccccc1CCCN1CCS(=O)CC1.
What is the InChIKey of 2-[3-(1-oxo-1,4-thiazinan-4-yl)propyl]benzamide?
The InChIKey is VBTLOHLLTBBHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c15-14(17)13-6-2-1-4-12(13)5-3-7-16-8-10-19(18)11-9-16/h1-2,4,6H,3,5,7-11H2,(H2,15,17).
What are the key properties of 2-[3-(1-oxo-1,4-thiazinan-4-yl)propyl]benzamide?
2-[3-(1-oxo-1,4-thiazinan-4-yl)propyl]benzamide has a molecular weight of 280.39 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-oxo-1,4-thiazinan-4-yl)propyl]benzamide is sourced from PubChem (CID 142798440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).