N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(propylamino)oxolane-3-carboxamide

C13H24N2O4S — CID 66255940

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H24N2O4S/c1-3-5-14-12-8-19-7-11(12)13(16)15(2)10-4-6-20(17,18)9-10/h10-12,14H,3-9H2,1-2H3
InChIKeyDUOWMYVZPAKTLA-UHFFFAOYSA-N
MW304.41 g/mol
LogP-0.35
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(propylamino)oxolane-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66255940) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
PubChem CID66255940
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H24N2O4S/c1-3-5-14-12-8-19-7-11(12)13(16)15(2)10-4-6-20(17,18)9-10/h10-12,14H,3-9H2,1-2H3
InChIKeyDUOWMYVZPAKTLA-UHFFFAOYSA-N
XLogP-0.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66257070
2-[propyl-[4-(propylamino)oxolane-3-carbonyl]amino]acetic acid
CID 66256929
N-cyclopentyl-N-(2-hydroxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255005
2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66255984
N-(2-methoxyethyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66254816
N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide
CID 106915220
N-(3,5-dimethylphenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66256169
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
methyl 4-(propylamino)oxolane-3-carboxylate
CID 66252301
N-[(2-hydroxyphenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66254812
N-ethyl-N-(2-ethylbutyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254601
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(propylamino)oxolane-3-carboxamide (CID 66255940) is N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is DUOWMYVZPAKTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-3-5-14-12-8-19-7-11(12)13(16)15(2)10-4-6-20(17,18)9-10/h10-12,14H,3-9H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(propylamino)oxolane-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 304.41 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66255940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).