N-cyclohexyl-5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

C16H23N5O3S — CID 95799157

IUPACN-cyclohexyl-5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCc1c(C2=NS(=O)(=O)N(C)C(C(=O)NC3CCCCC3)=C2)cnn1C
InChIInChI=1S/C16H23N5O3S/c1-11-13(10-17-20(11)2)14-9-15(21(3)25(23,24)19-14)16(22)18-12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,18,22)
InChIKeyBEEUWWAZZDHSOG-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.04
Rot. Bonds3

About N-cyclohexyl-5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

N-cyclohexyl-5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 95799157) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-cyclohexyl-5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID95799157
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC NameN-cyclohexyl-5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCc1c(C2=NS(=O)(=O)N(C)C(C(=O)NC3CCCCC3)=C2)cnn1C
InChIInChI=1S/C16H23N5O3S/c1-11-13(10-17-20(11)2)14-9-15(21(3)25(23,24)19-14)16(22)18-12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,18,22)
InChIKeyBEEUWWAZZDHSOG-UHFFFAOYSA-N
XLogP1.04
TPSA96.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253511
4-amino-N-cyclohexyl-1-methylpyrazole-5-carboxamide
CID 65356046
N-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 713201
[1-(cycloheptylamino)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate
CID 47017814
N-cyclopentyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 903286
N-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 81482919
5-(1,5-dimethylpyrazol-4-yl)-N-(4-methoxycyclohexyl)-1,2-oxazole-3-carboxamide
CID 163316177
5-(1-ethyl-5-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 46962263
2-(cyclohexylamino)-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 79584074
N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 94550055
N-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 156577123
N-cycloheptyl-2-methyltriazole-4-carboxamide
CID 110691433

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 95799157) is N-cyclohexyl-5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is Cc1c(C2=NS(=O)(=O)N(C)C(C(=O)NC3CCCCC3)=C2)cnn1C.
What is the InChIKey of N-cyclohexyl-5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is BEEUWWAZZDHSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-11-13(10-17-20(11)2)14-9-15(21(3)25(23,24)19-14)16(22)18-12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,18,22).
What are the key properties of N-cyclohexyl-5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
N-cyclohexyl-5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 95799157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).