2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

C11H23ClN2OS — CID 119514389

IUPAC2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCC(C)(C)SCC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C11H22N2OS.ClH/c1-11(2,3)15-8-10(14)13-7-9-5-4-6-12-9;/h9,12H,4-8H2,1-3H3,(H,13,14);1H
InChIKeyHPUFIAYXABVFJU-UHFFFAOYSA-N
MW266.84 g/mol
LogP1.81
Rot. Bonds4

About 2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (PubChem CID 119514389) has the molecular formula C11H23ClN2OS and a molecular weight of 266.84 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
PubChem CID119514389
Molecular FormulaC11H23ClN2OS
Molecular Weight266.84 g/mol
Exact Mass266.12
IUPAC Name2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCC(C)(C)SCC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C11H22N2OS.ClH/c1-11(2,3)15-8-10(14)13-7-9-5-4-6-12-9;/h9,12H,4-8H2,1-3H3,(H,13,14);1H
InChIKeyHPUFIAYXABVFJU-UHFFFAOYSA-N
XLogP1.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.84
LogP ≤ 51.81
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-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (CID 119514389) is 2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is CC(C)(C)SCC(=O)NCC1CCCN1.Cl.
What is the InChIKey of 2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is HPUFIAYXABVFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS.ClH/c1-11(2,3)15-8-10(14)13-7-9-5-4-6-12-9;/h9,12H,4-8H2,1-3H3,(H,13,14);1H.
What are the key properties of 2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 266.84 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119514389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).