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

C17H33N3O3S — CID 72837769

IUPACN-[(3R,4S)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCC1CCN(C(=O)CCN2C[C@H](NS(C)(=O)=O)[C@@H](C(C)C)C2)CC1
InChIInChI=1S/C17H33N3O3S/c1-13(2)15-11-19(12-16(15)18-24(4,22)23)8-7-17(21)20-9-5-14(3)6-10-20/h13-16,18H,5-12H2,1-4H3/t15-,16+/m1/s1
InChIKeyOXCCEDDJJJOWHI-CVEARBPZSA-N
MW359.54 g/mol
LogP1.14
Rot. Bonds6

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

N-[(3R,4S)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 72837769) has the molecular formula C17H33N3O3S and a molecular weight of 359.54 g/mol. Its IUPAC name is N-[(3R,4S)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
PubChem CID72837769
Molecular FormulaC17H33N3O3S
Molecular Weight359.54 g/mol
Exact Mass359.22
IUPAC NameN-[(3R,4S)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCC1CCN(C(=O)CCN2C[C@H](NS(C)(=O)=O)[C@@H](C(C)C)C2)CC1
InChIInChI=1S/C17H33N3O3S/c1-13(2)15-11-19(12-16(15)18-24(4,22)23)8-7-17(21)20-9-5-14(3)6-10-20/h13-16,18H,5-12H2,1-4H3/t15-,16+/m1/s1
InChIKeyOXCCEDDJJJOWHI-CVEARBPZSA-N
XLogP1.14
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4S)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (CID 72837769) is N-[(3R,4S)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4S)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4S)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is CC1CCN(C(=O)CCN2C[C@H](NS(C)(=O)=O)[C@@H](C(C)C)C2)CC1.
What is the InChIKey of N-[(3R,4S)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is OXCCEDDJJJOWHI-CVEARBPZSA-N. The full InChI is InChI=1S/C17H33N3O3S/c1-13(2)15-11-19(12-16(15)18-24(4,22)23)8-7-17(21)20-9-5-14(3)6-10-20/h13-16,18H,5-12H2,1-4H3/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
N-[(3R,4S)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 359.54 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 72837769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).