N-[(3R,4S)-1-(2-ethylbutanoyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

C14H28N2O3S — CID 72873073

IUPACN-[(3R,4S)-1-(2-ethylbutanoyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC(CC)C(=O)N1C[C@H](NS(C)(=O)=O)[C@@H](C(C)C)C1
InChIInChI=1S/C14H28N2O3S/c1-6-11(7-2)14(17)16-8-12(10(3)4)13(9-16)15-20(5,18)19/h10-13,15H,6-9H2,1-5H3/t12-,13+/m1/s1
InChIKeyAHQNWVVHIVNTHH-OLZOCXBDSA-N
MW304.46 g/mol
LogP1.45
Rot. Bonds6

About N-[(3R,4S)-1-(2-ethylbutanoyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

N-[(3R,4S)-1-(2-ethylbutanoyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 72873073) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[(3R,4S)-1-(2-ethylbutanoyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(2-ethylbutanoyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
PubChem CID72873073
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-[(3R,4S)-1-(2-ethylbutanoyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC(CC)C(=O)N1C[C@H](NS(C)(=O)=O)[C@@H](C(C)C)C1
InChIInChI=1S/C14H28N2O3S/c1-6-11(7-2)14(17)16-8-12(10(3)4)13(9-16)15-20(5,18)19/h10-13,15H,6-9H2,1-5H3/t12-,13+/m1/s1
InChIKeyAHQNWVVHIVNTHH-OLZOCXBDSA-N
XLogP1.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R,4S)-1-(2-ethylbutanoyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide with MolForge

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Related Compounds

N-{[(3r)-1-Cyclopentyl-5-Oxopyrrolidin-3-Yl]methyl}methanesulfonamide
CID 99919595
N-{rel-(3R,4S)-4-isopropyl-1-[3-(4-methyl-1-piperidinyl)-3-oxopropyl]-3-pyrrolidinyl}methanesulfonamide hydrochloride
CID 72837769
N-[(3S)-1-(4-methylpentanoyl)piperidin-3-yl]methanesulfonamide
CID 36376678
N-[1-(cyclopentylcarbonyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide
CID 53016569
N-[(3R*,4S*)-4-cyclopropyl-1-(4,4,4-trifluorobutanoyl)-3-pyrrolidinyl]methanesulfonamide
CID 72878479
N-[(3S,4R)-4-cyclopropyl-1-(4,4,4-trifluorobutanoyl)pyrrolidin-3-yl]methanesulfonamide
CID 133109514
N-[4-cyclopropyl-1-(4,4,4-trifluorobutanoyl)pyrrolidin-3-yl]methanesulfonamide
CID 156605337
1-cyclopentyl-N-{2-[methyl(methylsulfonyl)amino]ethyl}-5-oxopyrrolidine-3-carboxamide
CID 50951031
N-(1-Cyclopentanecarbonylpyrrolidin-3-YL)ethane-1-sulfonamide
CID 53016562
N-[1-(cyclopropylcarbonyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide
CID 53016568
N-{[1-(1-butyrylpiperidin-4-yl)pyrrolidin-3-yl]methyl}methanesulfonamide
CID 56760057
N-{rel-(3R,4S)-1-[2-oxo-2-(1-piperidinyl)ethyl]-4-propyl-3-pyrrolidinyl}methanesulfonamide hydrochloride
CID 72875686

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(2-ethylbutanoyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4S)-1-(2-ethylbutanoyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (CID 72873073) is N-[(3R,4S)-1-(2-ethylbutanoyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4S)-1-(2-ethylbutanoyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4S)-1-(2-ethylbutanoyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is CCC(CC)C(=O)N1C[C@H](NS(C)(=O)=O)[C@@H](C(C)C)C1.
What is the InChIKey of N-[(3R,4S)-1-(2-ethylbutanoyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is AHQNWVVHIVNTHH-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-6-11(7-2)14(17)16-8-12(10(3)4)13(9-16)15-20(5,18)19/h10-13,15H,6-9H2,1-5H3/t12-,13+/m1/s1.
What are the key properties of N-[(3R,4S)-1-(2-ethylbutanoyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
N-[(3R,4S)-1-(2-ethylbutanoyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(2-ethylbutanoyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 72873073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).