3-(methanesulfonamido)-N,N-dimethylpyrrolidine-1-carboxamide

C8H17N3O3S — CID 127328536

IUPAC3-(methanesulfonamido)-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NS(C)(=O)=O)C1
InChIInChI=1S/C8H17N3O3S/c1-10(2)8(12)11-5-4-7(6-11)9-15(3,13)14/h7,9H,4-6H2,1-3H3
InChIKeyKWGPXJNILMNIPM-UHFFFAOYSA-N
MW235.31 g/mol
LogP-0.71
Rot. Bonds2

About 3-(methanesulfonamido)-N,N-dimethylpyrrolidine-1-carboxamide

3-(methanesulfonamido)-N,N-dimethylpyrrolidine-1-carboxamide (PubChem CID 127328536) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N,N-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N,N-dimethylpyrrolidine-1-carboxamide
PubChem CID127328536
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC Name3-(methanesulfonamido)-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NS(C)(=O)=O)C1
InChIInChI=1S/C8H17N3O3S/c1-10(2)8(12)11-5-4-7(6-11)9-15(3,13)14/h7,9H,4-6H2,1-3H3
InChIKeyKWGPXJNILMNIPM-UHFFFAOYSA-N
XLogP-0.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N,N-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(methanesulfonamido)-N,N-dimethylpyrrolidine-1-carboxamide (CID 127328536) is 3-(methanesulfonamido)-N,N-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(methanesulfonamido)-N,N-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(methanesulfonamido)-N,N-dimethylpyrrolidine-1-carboxamide is CN(C)C(=O)N1CCC(NS(C)(=O)=O)C1.
What is the InChIKey of 3-(methanesulfonamido)-N,N-dimethylpyrrolidine-1-carboxamide?
The InChIKey is KWGPXJNILMNIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c1-10(2)8(12)11-5-4-7(6-11)9-15(3,13)14/h7,9H,4-6H2,1-3H3.
What are the key properties of 3-(methanesulfonamido)-N,N-dimethylpyrrolidine-1-carboxamide?
3-(methanesulfonamido)-N,N-dimethylpyrrolidine-1-carboxamide has a molecular weight of 235.31 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N,N-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 127328536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).