(2S)-1-cyclopropyl-N-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidine-2-carboxamide

C13H22N2O3S — CID 164641665

IUPAC(2S)-1-cyclopropyl-N-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)C1(CNC(=O)[C@@H]2CCCN2C2CC2)CC1
InChIInChI=1S/C13H22N2O3S/c1-19(17,18)13(6-7-13)9-14-12(16)11-3-2-8-15(11)10-4-5-10/h10-11H,2-9H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyYWJWOGUHKUDVHJ-NSHDSACASA-N
MW286.40 g/mol
LogP0.31
Rot. Bonds5

About (2S)-1-cyclopropyl-N-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidine-2-carboxamide

(2S)-1-cyclopropyl-N-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 164641665) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is (2S)-1-cyclopropyl-N-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-cyclopropyl-N-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidine-2-carboxamide
PubChem CID164641665
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name(2S)-1-cyclopropyl-N-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)C1(CNC(=O)[C@@H]2CCCN2C2CC2)CC1
InChIInChI=1S/C13H22N2O3S/c1-19(17,18)13(6-7-13)9-14-12(16)11-3-2-8-15(11)10-4-5-10/h10-11H,2-9H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyYWJWOGUHKUDVHJ-NSHDSACASA-N
XLogP0.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclopropyl-N-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-cyclopropyl-N-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidine-2-carboxamide (CID 164641665) is (2S)-1-cyclopropyl-N-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-cyclopropyl-N-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-cyclopropyl-N-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidine-2-carboxamide is CS(=O)(=O)C1(CNC(=O)[C@@H]2CCCN2C2CC2)CC1.
What is the InChIKey of (2S)-1-cyclopropyl-N-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is YWJWOGUHKUDVHJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-19(17,18)13(6-7-13)9-14-12(16)11-3-2-8-15(11)10-4-5-10/h10-11H,2-9H2,1H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (2S)-1-cyclopropyl-N-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidine-2-carboxamide?
(2S)-1-cyclopropyl-N-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclopropyl-N-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 164641665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).