N-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide

C10H18N2O3S — CID 71898013

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCC1CCS(=O)(=O)C1)N1CCCC1
InChIInChI=1S/C10H18N2O3S/c13-10(12-4-1-2-5-12)11-7-9-3-6-16(14,15)8-9/h9H,1-8H2,(H,11,13)
InChIKeyBFLLOGNDIFSWGJ-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.23
Rot. Bonds2

About N-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide

N-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 71898013) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID71898013
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCC1CCS(=O)(=O)C1)N1CCCC1
InChIInChI=1S/C10H18N2O3S/c13-10(12-4-1-2-5-12)11-7-9-3-6-16(14,15)8-9/h9H,1-8H2,(H,11,13)
InChIKeyBFLLOGNDIFSWGJ-UHFFFAOYSA-N
XLogP0.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide (CID 71898013) is N-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide is O=C(NCC1CCS(=O)(=O)C1)N1CCCC1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is BFLLOGNDIFSWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c13-10(12-4-1-2-5-12)11-7-9-3-6-16(14,15)8-9/h9H,1-8H2,(H,11,13).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide?
N-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 246.33 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71898013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).