2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide;hydrochloride

C11H23ClN2O3S — CID 119670187

IUPAC2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)N(C)C1CCS(=O)(=O)C1.Cl
InChIInChI=1S/C11H22N2O3S.ClH/c1-4-8(2)10(12)11(14)13(3)9-5-6-17(15,16)7-9;/h8-10H,4-7,12H2,1-3H3;1H
InChIKeyZWTCQKXGPQXVSO-UHFFFAOYSA-N
MW298.84 g/mol
LogP0.43
Rot. Bonds4

About 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide;hydrochloride

2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide;hydrochloride (PubChem CID 119670187) has the molecular formula C11H23ClN2O3S and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide;hydrochloride
PubChem CID119670187
Molecular FormulaC11H23ClN2O3S
Molecular Weight298.84 g/mol
Exact Mass298.11
IUPAC Name2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)N(C)C1CCS(=O)(=O)C1.Cl
InChIInChI=1S/C11H22N2O3S.ClH/c1-4-8(2)10(12)11(14)13(3)9-5-6-17(15,16)7-9;/h8-10H,4-7,12H2,1-3H3;1H
InChIKeyZWTCQKXGPQXVSO-UHFFFAOYSA-N
XLogP0.43
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide
CID 43648743
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907
2-amino-N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 76893547
tert-butyl N-[(2S)-1-[(1,1-dioxothiolan-3-yl)-methylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 110677909
ethyl 2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoacetate
CID 3720858
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 78973243
3-cyano-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide
CID 82118099
2-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylbutanamide
CID 54869645
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
CID 3450541
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
2-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666510
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide;hydrochloride (CID 119670187) is 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide;hydrochloride is CCC(C)C(N)C(=O)N(C)C1CCS(=O)(=O)C1.Cl.
What is the InChIKey of 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide;hydrochloride?
The InChIKey is ZWTCQKXGPQXVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S.ClH/c1-4-8(2)10(12)11(14)13(3)9-5-6-17(15,16)7-9;/h8-10H,4-7,12H2,1-3H3;1H.
What are the key properties of 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide;hydrochloride?
2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide;hydrochloride has a molecular weight of 298.84 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide;hydrochloride is sourced from PubChem (CID 119670187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).