2,2-dimethyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]thietan-3-amine

C10H17N3S — CID 131160274

IUPAC2,2-dimethyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]thietan-3-amine
SMILESCc1cn[nH]c1CNC1CSC1(C)C
InChIInChI=1S/C10H17N3S/c1-7-4-12-13-8(7)5-11-9-6-14-10(9,2)3/h4,9,11H,5-6H2,1-3H3,(H,12,13)
InChIKeyXHGVFWLIIDHXHN-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.70
Rot. Bonds3

About 2,2-dimethyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]thietan-3-amine

2,2-dimethyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]thietan-3-amine (PubChem CID 131160274) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]thietan-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]thietan-3-amine
PubChem CID131160274
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2,2-dimethyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]thietan-3-amine
SMILESCc1cn[nH]c1CNC1CSC1(C)C
InChIInChI=1S/C10H17N3S/c1-7-4-12-13-8(7)5-11-9-6-14-10(9,2)3/h4,9,11H,5-6H2,1-3H3,(H,12,13)
InChIKeyXHGVFWLIIDHXHN-UHFFFAOYSA-N
XLogP1.70
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]thietan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]thietan-3-amine?
The IUPAC name of 2,2-dimethyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]thietan-3-amine (CID 131160274) is 2,2-dimethyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]thietan-3-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]thietan-3-amine?
The canonical SMILES for 2,2-dimethyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]thietan-3-amine is Cc1cn[nH]c1CNC1CSC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]thietan-3-amine?
The InChIKey is XHGVFWLIIDHXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7-4-12-13-8(7)5-11-9-6-14-10(9,2)3/h4,9,11H,5-6H2,1-3H3,(H,12,13).
What are the key properties of 2,2-dimethyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]thietan-3-amine?
2,2-dimethyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]thietan-3-amine has a molecular weight of 211.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]thietan-3-amine is sourced from PubChem (CID 131160274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).