2-amino-2-methyl-N-(thiolan-2-ylmethyl)propanamide;hydrochloride

C9H19ClN2OS — CID 119042392

IUPAC2-amino-2-methyl-N-(thiolan-2-ylmethyl)propanamide;hydrochloride
SMILESCC(C)(N)C(=O)NCC1CCCS1.Cl
InChIInChI=1S/C9H18N2OS.ClH/c1-9(2,10)8(12)11-6-7-4-3-5-13-7;/h7H,3-6,10H2,1-2H3,(H,11,12);1H
InChIKeyDISIQSKDGIEWNO-UHFFFAOYSA-N
MW238.78 g/mol
LogP1.16
Rot. Bonds3

About 2-amino-2-methyl-N-(thiolan-2-ylmethyl)propanamide;hydrochloride

2-amino-2-methyl-N-(thiolan-2-ylmethyl)propanamide;hydrochloride (PubChem CID 119042392) has the molecular formula C9H19ClN2OS and a molecular weight of 238.78 g/mol. Its IUPAC name is 2-amino-2-methyl-N-(thiolan-2-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-(thiolan-2-ylmethyl)propanamide;hydrochloride
PubChem CID119042392
Molecular FormulaC9H19ClN2OS
Molecular Weight238.78 g/mol
Exact Mass238.09
IUPAC Name2-amino-2-methyl-N-(thiolan-2-ylmethyl)propanamide;hydrochloride
SMILESCC(C)(N)C(=O)NCC1CCCS1.Cl
InChIInChI=1S/C9H18N2OS.ClH/c1-9(2,10)8(12)11-6-7-4-3-5-13-7;/h7H,3-6,10H2,1-2H3,(H,11,12);1H
InChIKeyDISIQSKDGIEWNO-UHFFFAOYSA-N
XLogP1.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.78
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-(thiolan-2-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-(thiolan-2-ylmethyl)propanamide;hydrochloride (CID 119042392) is 2-amino-2-methyl-N-(thiolan-2-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-(thiolan-2-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-(thiolan-2-ylmethyl)propanamide;hydrochloride is CC(C)(N)C(=O)NCC1CCCS1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-(thiolan-2-ylmethyl)propanamide;hydrochloride?
The InChIKey is DISIQSKDGIEWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS.ClH/c1-9(2,10)8(12)11-6-7-4-3-5-13-7;/h7H,3-6,10H2,1-2H3,(H,11,12);1H.
What are the key properties of 2-amino-2-methyl-N-(thiolan-2-ylmethyl)propanamide;hydrochloride?
2-amino-2-methyl-N-(thiolan-2-ylmethyl)propanamide;hydrochloride has a molecular weight of 238.78 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-(thiolan-2-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119042392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).