2-amino-N-methyl-N-(1-oxothian-4-yl)propanamide;hydrochloride

C9H19ClN2O2S — CID 130763017

IUPAC2-amino-N-methyl-N-(1-oxothian-4-yl)propanamide;hydrochloride
SMILESCC(N)C(=O)N(C)C1CCS(=O)CC1.Cl
InChIInChI=1S/C9H18N2O2S.ClH/c1-7(10)9(12)11(2)8-3-5-14(13)6-4-8;/h7-8H,3-6,10H2,1-2H3;1H
InChIKeyWXBIWPOSDLOGIU-UHFFFAOYSA-N
MW254.78 g/mol
LogP0.12
Rot. Bonds2

About 2-amino-N-methyl-N-(1-oxothian-4-yl)propanamide;hydrochloride

2-amino-N-methyl-N-(1-oxothian-4-yl)propanamide;hydrochloride (PubChem CID 130763017) has the molecular formula C9H19ClN2O2S and a molecular weight of 254.78 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(1-oxothian-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-N-(1-oxothian-4-yl)propanamide;hydrochloride
PubChem CID130763017
Molecular FormulaC9H19ClN2O2S
Molecular Weight254.78 g/mol
Exact Mass254.09
IUPAC Name2-amino-N-methyl-N-(1-oxothian-4-yl)propanamide;hydrochloride
SMILESCC(N)C(=O)N(C)C1CCS(=O)CC1.Cl
InChIInChI=1S/C9H18N2O2S.ClH/c1-7(10)9(12)11(2)8-3-5-14(13)6-4-8;/h7-8H,3-6,10H2,1-2H3;1H
InChIKeyWXBIWPOSDLOGIU-UHFFFAOYSA-N
XLogP0.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.78
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride
CID 119328237
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
(2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842358
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119841949
(2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride
CID 130626855
(2R)-2-amino-N-methyl-N-[(3S)-thiolan-3-yl]propanamide
CID 93279074
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907
(2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide
CID 70337102
(2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide
CID 61149042
(2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride
CID 119342646
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
2-amino-3-[cyclobutyl(methyl)amino]-3-oxopropanoic acid
CID 115179269

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(1-oxothian-4-yl)propanamide;hydrochloride?
The IUPAC name of 2-amino-N-methyl-N-(1-oxothian-4-yl)propanamide;hydrochloride (CID 130763017) is 2-amino-N-methyl-N-(1-oxothian-4-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-methyl-N-(1-oxothian-4-yl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-methyl-N-(1-oxothian-4-yl)propanamide;hydrochloride is CC(N)C(=O)N(C)C1CCS(=O)CC1.Cl.
What is the InChIKey of 2-amino-N-methyl-N-(1-oxothian-4-yl)propanamide;hydrochloride?
The InChIKey is WXBIWPOSDLOGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S.ClH/c1-7(10)9(12)11(2)8-3-5-14(13)6-4-8;/h7-8H,3-6,10H2,1-2H3;1H.
What are the key properties of 2-amino-N-methyl-N-(1-oxothian-4-yl)propanamide;hydrochloride?
2-amino-N-methyl-N-(1-oxothian-4-yl)propanamide;hydrochloride has a molecular weight of 254.78 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(1-oxothian-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 130763017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).