N-[[1-(1-butanoylpiperidin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide

C15H29N3O3S — CID 56760057

IUPACN-[[1-(1-butanoylpiperidin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCCCC(=O)N1CCC(N2CCC(CNS(C)(=O)=O)C2)CC1
InChIInChI=1S/C15H29N3O3S/c1-3-4-15(19)17-9-6-14(7-10-17)18-8-5-13(12-18)11-16-22(2,20)21/h13-14,16H,3-12H2,1-2H3
InChIKeyRPIVTMZADMDETJ-UHFFFAOYSA-N
MW331.48 g/mol
LogP0.65
Rot. Bonds6

About N-[[1-(1-butanoylpiperidin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide

N-[[1-(1-butanoylpiperidin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide (PubChem CID 56760057) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-[[1-(1-butanoylpiperidin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(1-butanoylpiperidin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide
PubChem CID56760057
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC NameN-[[1-(1-butanoylpiperidin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCCCC(=O)N1CCC(N2CCC(CNS(C)(=O)=O)C2)CC1
InChIInChI=1S/C15H29N3O3S/c1-3-4-15(19)17-9-6-14(7-10-17)18-8-5-13(12-18)11-16-22(2,20)21/h13-14,16H,3-12H2,1-2H3
InChIKeyRPIVTMZADMDETJ-UHFFFAOYSA-N
XLogP0.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylsulfonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 3239105
N-(sec-butyl)-1-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3239200
N-(1-Methanesulfonyl-piperidin-4-yl)-2,2-dimethyl-propionamide
CID 3218771
N-isopropyl-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3237649
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3245033
N-[3-(diethylamino)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 4087817
1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 3152846
N-{[(3r)-1-Cyclopentyl-5-Oxopyrrolidin-3-Yl]methyl}methanesulfonamide
CID 99919595
N-[(1-acetylpiperidin-3-yl)methyl]methanesulfonamide
CID 53516726
N-[[(3S)-1-acetylpiperidin-3-yl]methyl]methanesulfonamide
CID 59268308
N-cyclopentyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774895
N-cyclopentyl-1-(methylsulfonyl)piperidine-3-carboxamide
CID 4572235

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-butanoylpiperidin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(1-butanoylpiperidin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide (CID 56760057) is N-[[1-(1-butanoylpiperidin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(1-butanoylpiperidin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(1-butanoylpiperidin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide is CCCC(=O)N1CCC(N2CCC(CNS(C)(=O)=O)C2)CC1.
What is the InChIKey of N-[[1-(1-butanoylpiperidin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The InChIKey is RPIVTMZADMDETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-3-4-15(19)17-9-6-14(7-10-17)18-8-5-13(12-18)11-16-22(2,20)21/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-[[1-(1-butanoylpiperidin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide?
N-[[1-(1-butanoylpiperidin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide has a molecular weight of 331.48 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-butanoylpiperidin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 56760057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).