N-(3-aminopropyl)-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide

C11H22N2O4S — CID 64913179

IUPACN-(3-aminopropyl)-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide
SMILESCOCCN(CCCN)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O4S/c1-17-7-6-13(5-2-4-12)11(14)10-3-8-18(15,16)9-10/h10H,2-9,12H2,1H3
InChIKeyNTMNFUQWRIZYSY-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.76
Rot. Bonds7

About N-(3-aminopropyl)-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide

N-(3-aminopropyl)-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 64913179) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID64913179
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC NameN-(3-aminopropyl)-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide
SMILESCOCCN(CCCN)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O4S/c1-17-7-6-13(5-2-4-12)11(14)10-3-8-18(15,16)9-10/h10H,2-9,12H2,1H3
InChIKeyNTMNFUQWRIZYSY-UHFFFAOYSA-N
XLogP-0.76
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78958859
N-(3-aminopropyl)-N-(2-methoxyethyl)cycloheptanecarboxamide
CID 63287770
methyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952441
N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide
CID 74248943
N-(2-chloroethyl)-1,1-dioxo-N-propylthiolane-3-carboxamide
CID 64906671
3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclopentane-1-carboxamide
CID 66009602
N-(3-aminopropyl)-N-propylcycloheptanecarboxamide
CID 55091581
3-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550455
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 79652406
N-(3-amino-2-methylpropyl)-N-ethyl-1,1-dioxothiolane-3-carboxamide
CID 64913364
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 64905780
3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 66008773

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide (CID 64913179) is N-(3-aminopropyl)-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide is COCCN(CCCN)C(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(3-aminopropyl)-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is NTMNFUQWRIZYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-17-7-6-13(5-2-4-12)11(14)10-3-8-18(15,16)9-10/h10H,2-9,12H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide?
N-(3-aminopropyl)-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 278.37 g/mol, XLogP of -0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 64913179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).