4-amino-N-(1,1-dioxothiolan-3-yl)-N-propylpentanamide;hydrochloride

C12H25ClN2O3S — CID 120559052

IUPAC4-amino-N-(1,1-dioxothiolan-3-yl)-N-propylpentanamide;hydrochloride
SMILESCCCN(C(=O)CCC(C)N)C1CCS(=O)(=O)C1.Cl
InChIInChI=1S/C12H24N2O3S.ClH/c1-3-7-14(12(15)5-4-10(2)13)11-6-8-18(16,17)9-11;/h10-11H,3-9,13H2,1-2H3;1H
InChIKeyFDFBTAMFZCGXBY-UHFFFAOYSA-N
MW312.86 g/mol
LogP0.96
Rot. Bonds6

About 4-amino-N-(1,1-dioxothiolan-3-yl)-N-propylpentanamide;hydrochloride

4-amino-N-(1,1-dioxothiolan-3-yl)-N-propylpentanamide;hydrochloride (PubChem CID 120559052) has the molecular formula C12H25ClN2O3S and a molecular weight of 312.86 g/mol. Its IUPAC name is 4-amino-N-(1,1-dioxothiolan-3-yl)-N-propylpentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(1,1-dioxothiolan-3-yl)-N-propylpentanamide;hydrochloride
PubChem CID120559052
Molecular FormulaC12H25ClN2O3S
Molecular Weight312.86 g/mol
Exact Mass312.13
IUPAC Name4-amino-N-(1,1-dioxothiolan-3-yl)-N-propylpentanamide;hydrochloride
SMILESCCCN(C(=O)CCC(C)N)C1CCS(=O)(=O)C1.Cl
InChIInChI=1S/C12H24N2O3S.ClH/c1-3-7-14(12(15)5-4-10(2)13)11-6-8-18(16,17)9-11;/h10-11H,3-9,13H2,1-2H3;1H
InChIKeyFDFBTAMFZCGXBY-UHFFFAOYSA-N
XLogP0.96
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide
CID 86977043
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3813491
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide
CID 95586858
5-[butyl-(1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid
CID 60662219
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 78973243
N-(1,1-dioxothiolan-3-yl)-2-[4-(2-methylpropyl)phenyl]-N-propylacetamide
CID 55395330
2-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)hexanamide
CID 60940048
(2S)-2-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)pentanamide
CID 107568879
2-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylbutanamide
CID 54869645
methyl 3-[[(3S)-1,1-dioxothiolan-3-yl]-pentanoylamino]propanoate
CID 39884771
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
CID 60743082

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,1-dioxothiolan-3-yl)-N-propylpentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(1,1-dioxothiolan-3-yl)-N-propylpentanamide;hydrochloride (CID 120559052) is 4-amino-N-(1,1-dioxothiolan-3-yl)-N-propylpentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(1,1-dioxothiolan-3-yl)-N-propylpentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(1,1-dioxothiolan-3-yl)-N-propylpentanamide;hydrochloride is CCCN(C(=O)CCC(C)N)C1CCS(=O)(=O)C1.Cl.
What is the InChIKey of 4-amino-N-(1,1-dioxothiolan-3-yl)-N-propylpentanamide;hydrochloride?
The InChIKey is FDFBTAMFZCGXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S.ClH/c1-3-7-14(12(15)5-4-10(2)13)11-6-8-18(16,17)9-11;/h10-11H,3-9,13H2,1-2H3;1H.
What are the key properties of 4-amino-N-(1,1-dioxothiolan-3-yl)-N-propylpentanamide;hydrochloride?
4-amino-N-(1,1-dioxothiolan-3-yl)-N-propylpentanamide;hydrochloride has a molecular weight of 312.86 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,1-dioxothiolan-3-yl)-N-propylpentanamide;hydrochloride is sourced from PubChem (CID 120559052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).