5-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-dimethylpyrazol-4-amine

C10H18N4O2S — CID 114083330

IUPAC5-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(N2CCCS(=O)(=O)CC2)c1N
InChIInChI=1S/C10H18N4O2S/c1-8-9(11)10(13(2)12-8)14-4-3-6-17(15,16)7-5-14/h3-7,11H2,1-2H3
InChIKeyYUOZCNCKUFQQSS-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.06
Rot. Bonds1

About 5-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-dimethylpyrazol-4-amine

5-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-dimethylpyrazol-4-amine (PubChem CID 114083330) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 5-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-dimethylpyrazol-4-amine
PubChem CID114083330
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name5-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(N2CCCS(=O)(=O)CC2)c1N
InChIInChI=1S/C10H18N4O2S/c1-8-9(11)10(13(2)12-8)14-4-3-6-17(15,16)7-5-14/h3-7,11H2,1-2H3
InChIKeyYUOZCNCKUFQQSS-UHFFFAOYSA-N
XLogP-0.06
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-5-piperidin-1-ylpyrazol-4-amine
CID 43553940
5-(azocan-1-yl)-1,3-dimethylpyrazol-4-amine
CID 43554002
N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 43581790
2-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]ethanol
CID 43554317
5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-amine
CID 43584190
5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
CID 43554219
1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-amine
CID 61225576
5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
CID 43553966
4-(1,1-dioxo-1,4-thiazepan-4-yl)-6-methylpyrimidin-2-amine
CID 103739613
5-(1,3-dihydroisoindol-2-yl)-1,3-dimethylpyrazol-4-amine
CID 55049999
5-(azetidin-1-yl)-3-methyl-1-propylpyrazol-4-amine
CID 130546598
5-(azocan-1-yl)-3-methyl-1-propylpyrazol-4-amine
CID 66028751

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-dimethylpyrazol-4-amine (CID 114083330) is 5-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-dimethylpyrazol-4-amine is Cc1nn(C)c(N2CCCS(=O)(=O)CC2)c1N.
What is the InChIKey of 5-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-dimethylpyrazol-4-amine?
The InChIKey is YUOZCNCKUFQQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-8-9(11)10(13(2)12-8)14-4-3-6-17(15,16)7-5-14/h3-7,11H2,1-2H3.
What are the key properties of 5-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-dimethylpyrazol-4-amine?
5-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-dimethylpyrazol-4-amine has a molecular weight of 258.35 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 114083330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).