3-(benzenesulfonamido)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide

C16H23N3O3S — CID 94694763

IUPAC3-(benzenesulfonamido)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)N[C@@H]1CCN(C2CC2)C1
InChIInChI=1S/C16H23N3O3S/c20-16(18-13-9-11-19(12-13)14-6-7-14)8-10-17-23(21,22)15-4-2-1-3-5-15/h1-5,13-14,17H,6-12H2,(H,18,20)/t13-/m1/s1
InChIKeyLTAHGMSEYZAERA-CYBMUJFWSA-N
MW337.44 g/mol
LogP0.71
Rot. Bonds7

About 3-(benzenesulfonamido)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide

3-(benzenesulfonamido)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide (PubChem CID 94694763) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide
PubChem CID94694763
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name3-(benzenesulfonamido)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)N[C@@H]1CCN(C2CC2)C1
InChIInChI=1S/C16H23N3O3S/c20-16(18-13-9-11-19(12-13)14-6-7-14)8-10-17-23(21,22)15-4-2-1-3-5-15/h1-5,13-14,17H,6-12H2,(H,18,20)/t13-/m1/s1
InChIKeyLTAHGMSEYZAERA-CYBMUJFWSA-N
XLogP0.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-cyclohexylpropanamide
CID 17225810
4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
CID 63324219
1-[2-(benzenesulfonamido)ethyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
CID 111918333
N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 39895873
3-(benzenesulfonamido)-N-[(1R,2S)-2-phenylcyclopropyl]propanamide
CID 95191262
N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]benzenesulfonamide
CID 51088688
N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 26691417
3-(benzenesulfonamido)-N-(4-methylidene-2-oxocyclohexyl)propanamide
CID 159898736
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
N-(1-benzylpyrrolidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide
CID 55378305
(2S)-2-(benzenesulfonamido)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 55939156
N-[2-(aminomethyl)cyclohexyl]-3-(benzenesulfonamido)propanamide;hydrochloride
CID 119611414

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide (CID 94694763) is 3-(benzenesulfonamido)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide is O=C(CCNS(=O)(=O)c1ccccc1)N[C@@H]1CCN(C2CC2)C1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide?
The InChIKey is LTAHGMSEYZAERA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O3S/c20-16(18-13-9-11-19(12-13)14-6-7-14)8-10-17-23(21,22)15-4-2-1-3-5-15/h1-5,13-14,17H,6-12H2,(H,18,20)/t13-/m1/s1.
What are the key properties of 3-(benzenesulfonamido)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide?
3-(benzenesulfonamido)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide has a molecular weight of 337.44 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 94694763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).