2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride

C16H32ClN3O3S — CID 120775248

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride
SMILESCCN(C(=O)C(C)N1CCC(N)C(C)(C)C1)C1CCS(=O)(=O)C1.Cl
InChIInChI=1S/C16H31N3O3S.ClH/c1-5-19(13-7-9-23(21,22)10-13)15(20)12(2)18-8-6-14(17)16(3,4)11-18;/h12-14H,5-11,17H2,1-4H3;1H
InChIKeyTVNPHZYZYBUZAU-UHFFFAOYSA-N
MW381.97 g/mol
LogP0.89
Rot. Bonds4

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride (PubChem CID 120775248) has the molecular formula C16H32ClN3O3S and a molecular weight of 381.97 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride
PubChem CID120775248
Molecular FormulaC16H32ClN3O3S
Molecular Weight381.97 g/mol
Exact Mass381.19
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride
SMILESCCN(C(=O)C(C)N1CCC(N)C(C)(C)C1)C1CCS(=O)(=O)C1.Cl
InChIInChI=1S/C16H31N3O3S.ClH/c1-5-19(13-7-9-23(21,22)10-13)15(20)12(2)18-8-6-14(17)16(3,4)11-18;/h12-14H,5-11,17H2,1-4H3;1H
InChIKeyTVNPHZYZYBUZAU-UHFFFAOYSA-N
XLogP0.89
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.97
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride with MolForge

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Related Compounds

(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 78973243
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 25393057
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 120775612
2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbutanediamide
CID 60939371
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[ethyl(methyl)amino]acetamide
CID 60516837
2-(2,2-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 65461375
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694235
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propanamide
CID 26299628
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120776079
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-methylpiperidin-4-yl)acetamide
CID 110754658
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methylsulfanylbutanamide
CID 104907675

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride (CID 120775248) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride is CCN(C(=O)C(C)N1CCC(N)C(C)(C)C1)C1CCS(=O)(=O)C1.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride?
The InChIKey is TVNPHZYZYBUZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3S.ClH/c1-5-19(13-7-9-23(21,22)10-13)15(20)12(2)18-8-6-14(17)16(3,4)11-18;/h12-14H,5-11,17H2,1-4H3;1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride has a molecular weight of 381.97 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride is sourced from PubChem (CID 120775248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).