N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine

C10H17N3O2S — CID 79578518

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
SMILESCc1c(CNC2CCS(=O)(=O)C2)cnn1C
InChIInChI=1S/C10H17N3O2S/c1-8-9(6-12-13(8)2)5-11-10-3-4-16(14,15)7-10/h6,10-11H,3-5,7H2,1-2H3
InChIKeyGOXCSHLAGYUQIL-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.01
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine (PubChem CID 79578518) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
PubChem CID79578518
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
SMILESCc1c(CNC2CCS(=O)(=O)C2)cnn1C
InChIInChI=1S/C10H17N3O2S/c1-8-9(6-12-13(8)2)5-11-10-3-4-16(14,15)7-10/h6,10-11H,3-5,7H2,1-2H3
InChIKeyGOXCSHLAGYUQIL-UHFFFAOYSA-N
XLogP0.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 79578467
4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 79579556
N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 94550055
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
CID 102795070
N-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 62697401
4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cycloheptan-1-amine
CID 103859312
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine
CID 79578616
N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 47271585
N-[(6-methyl-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
CID 62996716
N-[(3-ethylimidazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 66118433
3-[(1,5-dimethylpyrazol-4-yl)methylamino]azepan-2-one
CID 79578454
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 103905336

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine (CID 79578518) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine is Cc1c(CNC2CCS(=O)(=O)C2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine?
The InChIKey is GOXCSHLAGYUQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8-9(6-12-13(8)2)5-11-10-3-4-16(14,15)7-10/h6,10-11H,3-5,7H2,1-2H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine has a molecular weight of 243.33 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 79578518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).