N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]methanesulfonamide

C12H23N3O4S — CID 110133174

IUPACN-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]methanesulfonamide
SMILESCC(=O)N1CCC(N2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)CC1
InChIInChI=1S/C12H23N3O4S/c1-9(16)14-5-3-10(4-6-14)15-7-11(12(17)8-15)13-20(2,18)19/h10-13,17H,3-8H2,1-2H3/t11-,12-/m1/s1
InChIKeySORBSWSIPJZTKS-VXGBXAGGSA-N
MW305.40 g/mol
LogP-1.41
Rot. Bonds3

About N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]methanesulfonamide

N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]methanesulfonamide (PubChem CID 110133174) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]methanesulfonamide
PubChem CID110133174
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC NameN-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]methanesulfonamide
SMILESCC(=O)N1CCC(N2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)CC1
InChIInChI=1S/C12H23N3O4S/c1-9(16)14-5-3-10(4-6-14)15-7-11(12(17)8-15)13-20(2,18)19/h10-13,17H,3-8H2,1-2H3/t11-,12-/m1/s1
InChIKeySORBSWSIPJZTKS-VXGBXAGGSA-N
XLogP-1.41
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]methanesulfonamide (CID 110133174) is N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]methanesulfonamide is CC(=O)N1CCC(N2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)CC1.
What is the InChIKey of N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]methanesulfonamide?
The InChIKey is SORBSWSIPJZTKS-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-9(16)14-5-3-10(4-6-14)15-7-11(12(17)8-15)13-20(2,18)19/h10-13,17H,3-8H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]methanesulfonamide?
N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]methanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of -1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 110133174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).