3-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methoxypropanamide

C12H24N2O4S — CID 106111983

IUPAC3-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methoxypropanamide
SMILESCCCCN(C(=O)C(CN)OC)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O4S/c1-3-4-6-14(12(15)11(8-13)18-2)10-5-7-19(16,17)9-10/h10-11H,3-9,13H2,1-2H3
InChIKeyLTWNZGJULAPXAU-UHFFFAOYSA-N
MW292.40 g/mol
LogP-0.22
Rot. Bonds7

About 3-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methoxypropanamide

3-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methoxypropanamide (PubChem CID 106111983) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methoxypropanamide
PubChem CID106111983
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name3-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methoxypropanamide
SMILESCCCCN(C(=O)C(CN)OC)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O4S/c1-3-4-6-14(12(15)11(8-13)18-2)10-5-7-19(16,17)9-10/h10-11H,3-9,13H2,1-2H3
InChIKeyLTWNZGJULAPXAU-UHFFFAOYSA-N
XLogP-0.22
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide
CID 103514735
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
3-amino-4-[butyl-(1,1-dioxothiolan-3-yl)amino]-4-oxobutanoic acid
CID 64895917
3-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methyl-3-phenylpropanamide
CID 119682487
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride
CID 119682488
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide
CID 86977043
3-amino-N-cyclopropyl-2-methoxy-N-(2-methoxyethyl)propanamide
CID 106112093
(2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide
CID 79024346
butyl-[(3R)-1,1-dioxothiolan-3-yl]carbamodithioic acid
CID 51496105
1-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-pentylurea
CID 97064600

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methoxypropanamide (CID 106111983) is 3-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methoxypropanamide is CCCCN(C(=O)C(CN)OC)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methoxypropanamide?
The InChIKey is LTWNZGJULAPXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-3-4-6-14(12(15)11(8-13)18-2)10-5-7-19(16,17)9-10/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 3-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methoxypropanamide?
3-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methoxypropanamide has a molecular weight of 292.40 g/mol, XLogP of -0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methoxypropanamide is sourced from PubChem (CID 106111983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).