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

C10H17N3O2S — CID 164635534

IUPACN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-N,1-dimethylpyrazol-4-amine
SMILESCN(C[C@H]1CCS(=O)(=O)C1)c1cnn(C)c1
InChIInChI=1S/C10H17N3O2S/c1-12(10-5-11-13(2)7-10)6-9-3-4-16(14,15)8-9/h5,7,9H,3-4,6,8H2,1-2H3/t9-/m1/s1
InChIKeyZHXNDERKIPWVHY-SECBINFHSA-N
MW243.33 g/mol
LogP0.29
Rot. Bonds3

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

N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-N,1-dimethylpyrazol-4-amine (PubChem CID 164635534) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-N,1-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-N,1-dimethylpyrazol-4-amine
PubChem CID164635534
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-N,1-dimethylpyrazol-4-amine
SMILESCN(C[C@H]1CCS(=O)(=O)C1)c1cnn(C)c1
InChIInChI=1S/C10H17N3O2S/c1-12(10-5-11-13(2)7-10)6-9-3-4-16(14,15)8-9/h5,7,9H,3-4,6,8H2,1-2H3/t9-/m1/s1
InChIKeyZHXNDERKIPWVHY-SECBINFHSA-N
XLogP0.29
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-N,1-dimethylpyrazol-4-amine?
The IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-N,1-dimethylpyrazol-4-amine (CID 164635534) is N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-N,1-dimethylpyrazol-4-amine.
What is the SMILES notation for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-N,1-dimethylpyrazol-4-amine?
The canonical SMILES for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-N,1-dimethylpyrazol-4-amine is CN(C[C@H]1CCS(=O)(=O)C1)c1cnn(C)c1.
What is the InChIKey of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-N,1-dimethylpyrazol-4-amine?
The InChIKey is ZHXNDERKIPWVHY-SECBINFHSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-12(10-5-11-13(2)7-10)6-9-3-4-16(14,15)8-9/h5,7,9H,3-4,6,8H2,1-2H3/t9-/m1/s1.
What are the key properties of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-N,1-dimethylpyrazol-4-amine?
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-N,1-dimethylpyrazol-4-amine has a molecular weight of 243.33 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-N,1-dimethylpyrazol-4-amine is sourced from PubChem (CID 164635534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).