(2S,3S)-3-(methanesulfonamido)-N,N,2-trimethylpyrrolidine-1-carboxamide

C9H19N3O3S — CID 146297676

IUPAC(2S,3S)-3-(methanesulfonamido)-N,N,2-trimethylpyrrolidine-1-carboxamide
SMILESC[C@H]1[C@@H](NS(C)(=O)=O)CCN1C(=O)N(C)C
InChIInChI=1S/C9H19N3O3S/c1-7-8(10-16(4,14)15)5-6-12(7)9(13)11(2)3/h7-8,10H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyLEWYHAHGBKRNJS-YUMQZZPRSA-N
MW249.34 g/mol
LogP-0.32
Rot. Bonds2

About (2S,3S)-3-(methanesulfonamido)-N,N,2-trimethylpyrrolidine-1-carboxamide

(2S,3S)-3-(methanesulfonamido)-N,N,2-trimethylpyrrolidine-1-carboxamide (PubChem CID 146297676) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is (2S,3S)-3-(methanesulfonamido)-N,N,2-trimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,3S)-3-(methanesulfonamido)-N,N,2-trimethylpyrrolidine-1-carboxamide
PubChem CID146297676
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name(2S,3S)-3-(methanesulfonamido)-N,N,2-trimethylpyrrolidine-1-carboxamide
SMILESC[C@H]1[C@@H](NS(C)(=O)=O)CCN1C(=O)N(C)C
InChIInChI=1S/C9H19N3O3S/c1-7-8(10-16(4,14)15)5-6-12(7)9(13)11(2)3/h7-8,10H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyLEWYHAHGBKRNJS-YUMQZZPRSA-N
XLogP-0.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(methanesulfonamido)-N,N,2-trimethylpyrrolidine-1-carboxamide?
The IUPAC name of (2S,3S)-3-(methanesulfonamido)-N,N,2-trimethylpyrrolidine-1-carboxamide (CID 146297676) is (2S,3S)-3-(methanesulfonamido)-N,N,2-trimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,3S)-3-(methanesulfonamido)-N,N,2-trimethylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S,3S)-3-(methanesulfonamido)-N,N,2-trimethylpyrrolidine-1-carboxamide is C[C@H]1[C@@H](NS(C)(=O)=O)CCN1C(=O)N(C)C.
What is the InChIKey of (2S,3S)-3-(methanesulfonamido)-N,N,2-trimethylpyrrolidine-1-carboxamide?
The InChIKey is LEWYHAHGBKRNJS-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-7-8(10-16(4,14)15)5-6-12(7)9(13)11(2)3/h7-8,10H,5-6H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-3-(methanesulfonamido)-N,N,2-trimethylpyrrolidine-1-carboxamide?
(2S,3S)-3-(methanesulfonamido)-N,N,2-trimethylpyrrolidine-1-carboxamide has a molecular weight of 249.34 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(methanesulfonamido)-N,N,2-trimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 146297676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).