2-tert-butylsulfanyl-N-(1H-pyrazol-5-yl)acetamide

C9H15N3OS — CID 61393876

IUPAC2-tert-butylsulfanyl-N-(1H-pyrazol-5-yl)acetamide
SMILESCC(C)(C)SCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C9H15N3OS/c1-9(2,3)14-6-8(13)11-7-4-5-10-12-7/h4-5H,6H2,1-3H3,(H2,10,11,12,13)
InChIKeyFDMALYNYRMOUPL-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.88
Rot. Bonds3

About 2-tert-butylsulfanyl-N-(1H-pyrazol-5-yl)acetamide

2-tert-butylsulfanyl-N-(1H-pyrazol-5-yl)acetamide (PubChem CID 61393876) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-(1H-pyrazol-5-yl)acetamide
PubChem CID61393876
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-tert-butylsulfanyl-N-(1H-pyrazol-5-yl)acetamide
SMILESCC(C)(C)SCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C9H15N3OS/c1-9(2,3)14-6-8(13)11-7-4-5-10-12-7/h4-5H,6H2,1-3H3,(H2,10,11,12,13)
InChIKeyFDMALYNYRMOUPL-UHFFFAOYSA-N
XLogP1.88
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-(1H-pyrazol-5-yl)acetamide (CID 61393876) is 2-tert-butylsulfanyl-N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-(1H-pyrazol-5-yl)acetamide is CC(C)(C)SCC(=O)Nc1ccn[nH]1.
What is the InChIKey of 2-tert-butylsulfanyl-N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is FDMALYNYRMOUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-9(2,3)14-6-8(13)11-7-4-5-10-12-7/h4-5H,6H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 2-tert-butylsulfanyl-N-(1H-pyrazol-5-yl)acetamide?
2-tert-butylsulfanyl-N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 213.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 61393876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).