N-(1,1-dicyclopropylpropyl)-1,1-dioxothiolane-3-carboxamide

C14H23NO3S — CID 126818457

IUPACN-(1,1-dicyclopropylpropyl)-1,1-dioxothiolane-3-carboxamide
SMILESCCC(NC(=O)C1CCS(=O)(=O)C1)(C1CC1)C1CC1
InChIInChI=1S/C14H23NO3S/c1-2-14(11-3-4-11,12-5-6-12)15-13(16)10-7-8-19(17,18)9-10/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyXDSMEKKNIBDSOI-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.51
Rot. Bonds5

About N-(1,1-dicyclopropylpropyl)-1,1-dioxothiolane-3-carboxamide

N-(1,1-dicyclopropylpropyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 126818457) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(1,1-dicyclopropylpropyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dicyclopropylpropyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID126818457
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-(1,1-dicyclopropylpropyl)-1,1-dioxothiolane-3-carboxamide
SMILESCCC(NC(=O)C1CCS(=O)(=O)C1)(C1CC1)C1CC1
InChIInChI=1S/C14H23NO3S/c1-2-14(11-3-4-11,12-5-6-12)15-13(16)10-7-8-19(17,18)9-10/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyXDSMEKKNIBDSOI-UHFFFAOYSA-N
XLogP1.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-1,1-dioxothiolane-3-carboxamide;hydrochloride
CID 119571971
1,1-dioxo-N-(3-oxopentan-2-yl)thiolane-3-carboxamide
CID 64996718
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 77050135
(3R)-N',N'-dimethyl-1,1-dioxothiolane-3-carbohydrazide
CID 9092671
(3R)-N-(1,1-diphenylethyl)-1,1-dioxothiolane-3-carboxamide
CID 95149760
N-[(2R)-1-hydroxybutan-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 103919820
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide
CID 75407298
N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide
CID 43418379
N-(1-cyanopropyl)-1,1-dioxothiolane-3-carboxamide
CID 62867245
2-[[(1,1-dioxothiolane-3-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65220299
N-(3-methyl-2-propan-2-ylbutyl)-1,1-dioxothiolane-3-carboxamide
CID 102915000
N-cyano-1,1-dioxothiolane-3-carboxamide
CID 79195189

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dicyclopropylpropyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(1,1-dicyclopropylpropyl)-1,1-dioxothiolane-3-carboxamide (CID 126818457) is N-(1,1-dicyclopropylpropyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(1,1-dicyclopropylpropyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(1,1-dicyclopropylpropyl)-1,1-dioxothiolane-3-carboxamide is CCC(NC(=O)C1CCS(=O)(=O)C1)(C1CC1)C1CC1.
What is the InChIKey of N-(1,1-dicyclopropylpropyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is XDSMEKKNIBDSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-2-14(11-3-4-11,12-5-6-12)15-13(16)10-7-8-19(17,18)9-10/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of N-(1,1-dicyclopropylpropyl)-1,1-dioxothiolane-3-carboxamide?
N-(1,1-dicyclopropylpropyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 285.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dicyclopropylpropyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 126818457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).