(2S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methylsulfonylpropanamide

C11H20N2O3S — CID 94796418

IUPAC(2S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methylsulfonylpropanamide
SMILESC[C@@H](C(=O)N[C@H]1CCN(C2CC2)C1)S(C)(=O)=O
InChIInChI=1S/C11H20N2O3S/c1-8(17(2,15)16)11(14)12-9-5-6-13(7-9)10-3-4-10/h8-10H,3-7H2,1-2H3,(H,12,14)/t8-,9-/m0/s1
InChIKeyLGHNLEFQWUOMDL-IUCAKERBSA-N
MW260.36 g/mol
LogP-0.23
Rot. Bonds4

About (2S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methylsulfonylpropanamide

(2S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methylsulfonylpropanamide (PubChem CID 94796418) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is (2S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methylsulfonylpropanamide
PubChem CID94796418
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name(2S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methylsulfonylpropanamide
SMILESC[C@@H](C(=O)N[C@H]1CCN(C2CC2)C1)S(C)(=O)=O
InChIInChI=1S/C11H20N2O3S/c1-8(17(2,15)16)11(14)12-9-5-6-13(7-9)10-3-4-10/h8-10H,3-7H2,1-2H3,(H,12,14)/t8-,9-/m0/s1
InChIKeyLGHNLEFQWUOMDL-IUCAKERBSA-N
XLogP-0.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopentylpyrrolidin-3-yl)-2-methylpropanamide
CID 110459860
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea
CID 115629326
2-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 154775634
(E)-N-(1-cyclopropylpyrrolidin-3-yl)but-2-enamide
CID 110470176
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylpropanamide;dihydrochloride
CID 119864797
3-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2,2-dimethylpropanamide;dihydrochloride
CID 119864814
4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid
CID 81069360
N-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide
CID 115629328
3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide
CID 104502509
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669933
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
CID 114928005
5-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid
CID 82014997

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methylsulfonylpropanamide?
The IUPAC name of (2S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methylsulfonylpropanamide (CID 94796418) is (2S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methylsulfonylpropanamide.
What is the SMILES notation for (2S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methylsulfonylpropanamide?
The canonical SMILES for (2S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methylsulfonylpropanamide is C[C@@H](C(=O)N[C@H]1CCN(C2CC2)C1)S(C)(=O)=O.
What is the InChIKey of (2S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methylsulfonylpropanamide?
The InChIKey is LGHNLEFQWUOMDL-IUCAKERBSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8(17(2,15)16)11(14)12-9-5-6-13(7-9)10-3-4-10/h8-10H,3-7H2,1-2H3,(H,12,14)/t8-,9-/m0/s1.
What are the key properties of (2S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methylsulfonylpropanamide?
(2S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methylsulfonylpropanamide has a molecular weight of 260.36 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 94796418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).