3-cyclobutyl-N-(4-methoxycyclohexyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide

C16H28N2O4S — CID 128781794

IUPAC3-cyclobutyl-N-(4-methoxycyclohexyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCOC1CCC(NC(=O)N2CCS(=O)(=O)CC2C2CCC2)CC1
InChIInChI=1S/C16H28N2O4S/c1-22-14-7-5-13(6-8-14)17-16(19)18-9-10-23(20,21)11-15(18)12-3-2-4-12/h12-15H,2-11H2,1H3,(H,17,19)
InChIKeyACOHAGZQNGKZAW-UHFFFAOYSA-N
MW344.48 g/mol
LogP1.55
Rot. Bonds3

About 3-cyclobutyl-N-(4-methoxycyclohexyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide

3-cyclobutyl-N-(4-methoxycyclohexyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 128781794) has the molecular formula C16H28N2O4S and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-cyclobutyl-N-(4-methoxycyclohexyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound Name3-cyclobutyl-N-(4-methoxycyclohexyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID128781794
Molecular FormulaC16H28N2O4S
Molecular Weight344.48 g/mol
Exact Mass344.18
IUPAC Name3-cyclobutyl-N-(4-methoxycyclohexyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCOC1CCC(NC(=O)N2CCS(=O)(=O)CC2C2CCC2)CC1
InChIInChI=1S/C16H28N2O4S/c1-22-14-7-5-13(6-8-14)17-16(19)18-9-10-23(20,21)11-15(18)12-3-2-4-12/h12-15H,2-11H2,1H3,(H,17,19)
InChIKeyACOHAGZQNGKZAW-UHFFFAOYSA-N
XLogP1.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclobutyl-N-[(1S)-2,2-dimethylcyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 128781863
4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024853
N-cyclopropyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 115608976
(4-methoxycyclohexyl)carbamic acid
CID 68557751
methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride
CID 67267082
N-(4-methoxycyclohexyl)-3-oxo-2-phenylpiperazine-1-carboxamide
CID 128696475
N-(3-methoxycyclopentyl)-3-methylpiperidine-1-carboxamide
CID 103082501
N-cyclohexyl-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 127710002
2-(1,2-benzothiazol-3-yl)-1-(3-cyclobutyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 128891494
N-[2-(4-methoxycyclohexyl)ethyl]-5-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 139010738
N-cyclopentyl-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide
CID 91909230
3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032810

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-(4-methoxycyclohexyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of 3-cyclobutyl-N-(4-methoxycyclohexyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 128781794) is 3-cyclobutyl-N-(4-methoxycyclohexyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for 3-cyclobutyl-N-(4-methoxycyclohexyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for 3-cyclobutyl-N-(4-methoxycyclohexyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide is COC1CCC(NC(=O)N2CCS(=O)(=O)CC2C2CCC2)CC1.
What is the InChIKey of 3-cyclobutyl-N-(4-methoxycyclohexyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is ACOHAGZQNGKZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4S/c1-22-14-7-5-13(6-8-14)17-16(19)18-9-10-23(20,21)11-15(18)12-3-2-4-12/h12-15H,2-11H2,1H3,(H,17,19).
What are the key properties of 3-cyclobutyl-N-(4-methoxycyclohexyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
3-cyclobutyl-N-(4-methoxycyclohexyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-(4-methoxycyclohexyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 128781794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).