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

C11H19N3O2S — CID 83086859

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
SMILESCc1nn(C)cc1CNC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C11H19N3O2S/c1-9-10(7-14(3)13-9)6-12-11(2)4-5-17(15,16)8-11/h7,12H,4-6,8H2,1-3H3
InChIKeyVQTIFWGFUPRVPC-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.40
Rot. Bonds3

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

N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine (PubChem CID 83086859) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
PubChem CID83086859
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
SMILESCc1nn(C)cc1CNC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C11H19N3O2S/c1-9-10(7-14(3)13-9)6-12-11(2)4-5-17(15,16)8-11/h7,12H,4-6,8H2,1-3H3
InChIKeyVQTIFWGFUPRVPC-UHFFFAOYSA-N
XLogP0.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43424910
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43679927
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine
CID 112549466
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43424917
3-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
CID 63654993
2-chloro-6-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]phenol
CID 112606448
3-tert-butyl-1-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide
CID 136544377
N-[(2-chloro-3-fluorophenyl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 112651979
N-[(5-bromo-2-chlorophenyl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 103952668
N-[(4-bromo-2-fluorophenyl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43424919
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methyl-1,1-dioxothiolan-3-amine
CID 60702940
N-[[4-(diethylamino)phenyl]methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43679696

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine (CID 83086859) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine is Cc1nn(C)cc1CNC1(C)CCS(=O)(=O)C1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is VQTIFWGFUPRVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9-10(7-14(3)13-9)6-12-11(2)4-5-17(15,16)8-11/h7,12H,4-6,8H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 257.36 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 83086859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).