2-amino-2-methyl-N-(1-oxothiolan-3-yl)propanamide;hydrochloride

C8H17ClN2O2S — CID 130684165

IUPAC2-amino-2-methyl-N-(1-oxothiolan-3-yl)propanamide;hydrochloride
SMILESCC(C)(N)C(=O)NC1CCS(=O)C1.Cl
InChIInChI=1S/C8H16N2O2S.ClH/c1-8(2,9)7(11)10-6-3-4-13(12)5-6;/h6H,3-5,9H2,1-2H3,(H,10,11);1H
InChIKeyLOSFSVVNRWOTDZ-UHFFFAOYSA-N
MW240.76 g/mol
LogP-0.22
Rot. Bonds2

About 2-amino-2-methyl-N-(1-oxothiolan-3-yl)propanamide;hydrochloride

2-amino-2-methyl-N-(1-oxothiolan-3-yl)propanamide;hydrochloride (PubChem CID 130684165) has the molecular formula C8H17ClN2O2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 2-amino-2-methyl-N-(1-oxothiolan-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-(1-oxothiolan-3-yl)propanamide;hydrochloride
PubChem CID130684165
Molecular FormulaC8H17ClN2O2S
Molecular Weight240.76 g/mol
Exact Mass240.07
IUPAC Name2-amino-2-methyl-N-(1-oxothiolan-3-yl)propanamide;hydrochloride
SMILESCC(C)(N)C(=O)NC1CCS(=O)C1.Cl
InChIInChI=1S/C8H16N2O2S.ClH/c1-8(2,9)7(11)10-6-3-4-13(12)5-6;/h6H,3-5,9H2,1-2H3,(H,10,11);1H
InChIKeyLOSFSVVNRWOTDZ-UHFFFAOYSA-N
XLogP-0.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-methyl-N-(1-oxothiolan-3-yl)butanamide
CID 131065515
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CID 62319991
2-methyl-N-(1-oxothiolan-3-yl)prop-2-enamide
CID 155476064
(2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide
CID 104864652
1-cyclohexyl-3-(1-oxothiolan-3-yl)urea
CID 71865616
2-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylpropanamide
CID 61264639
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylpropanamide;dihydrochloride
CID 119864797
N-(1-oxothiolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 131203765
2-amino-N-(1-ethylpiperidin-4-yl)-2-methylpropanamide
CID 61266826
1-(1-oxothiolan-3-yl)-3-(3,3,3-trifluoropropyl)urea
CID 154735349
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CID 113480342
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CID 119900290

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-(1-oxothiolan-3-yl)propanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-(1-oxothiolan-3-yl)propanamide;hydrochloride (CID 130684165) is 2-amino-2-methyl-N-(1-oxothiolan-3-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-(1-oxothiolan-3-yl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-(1-oxothiolan-3-yl)propanamide;hydrochloride is CC(C)(N)C(=O)NC1CCS(=O)C1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-(1-oxothiolan-3-yl)propanamide;hydrochloride?
The InChIKey is LOSFSVVNRWOTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S.ClH/c1-8(2,9)7(11)10-6-3-4-13(12)5-6;/h6H,3-5,9H2,1-2H3,(H,10,11);1H.
What are the key properties of 2-amino-2-methyl-N-(1-oxothiolan-3-yl)propanamide;hydrochloride?
2-amino-2-methyl-N-(1-oxothiolan-3-yl)propanamide;hydrochloride has a molecular weight of 240.76 g/mol, XLogP of -0.22, 2 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-(1-oxothiolan-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 130684165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).