1,1-dioxo-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiolane-3-carboxamide

C13H24N2O3S — CID 106609917

IUPAC1,1-dioxo-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiolane-3-carboxamide
SMILESCC(C)N(CC1CCCN1)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H24N2O3S/c1-10(2)15(8-12-4-3-6-14-12)13(16)11-5-7-19(17,18)9-11/h10-12,14H,3-9H2,1-2H3
InChIKeyONFGINNYJVHDSP-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.41
Rot. Bonds4

About 1,1-dioxo-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiolane-3-carboxamide

1,1-dioxo-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiolane-3-carboxamide (PubChem CID 106609917) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1,1-dioxo-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiolane-3-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiolane-3-carboxamide
PubChem CID106609917
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name1,1-dioxo-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiolane-3-carboxamide
SMILESCC(C)N(CC1CCCN1)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H24N2O3S/c1-10(2)15(8-12-4-3-6-14-12)13(16)11-5-7-19(17,18)9-11/h10-12,14H,3-9H2,1-2H3
InChIKeyONFGINNYJVHDSP-UHFFFAOYSA-N
XLogP0.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yloxolane-2-carboxamide
CID 106626417
5-oxo-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 106626364
2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
CID 107181141
2-methylsulfonyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610197
3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613201
3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea
CID 106629717
N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide
CID 107990956
2-cyclopropyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626607
N-(piperidin-2-ylmethyl)-N-propan-2-ylprop-2-enamide
CID 106626540
4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpentanamide
CID 106626702
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pent-4-enamide
CID 106609880
3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613236

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiolane-3-carboxamide?
The IUPAC name of 1,1-dioxo-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiolane-3-carboxamide (CID 106609917) is 1,1-dioxo-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiolane-3-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiolane-3-carboxamide?
The canonical SMILES for 1,1-dioxo-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiolane-3-carboxamide is CC(C)N(CC1CCCN1)C(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiolane-3-carboxamide?
The InChIKey is ONFGINNYJVHDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-10(2)15(8-12-4-3-6-14-12)13(16)11-5-7-19(17,18)9-11/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 1,1-dioxo-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiolane-3-carboxamide?
1,1-dioxo-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiolane-3-carboxamide has a molecular weight of 288.41 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiolane-3-carboxamide is sourced from PubChem (CID 106609917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).