N-[1-(3-ethylpyrrolidine-3-carbonyl)piperidin-4-yl]methanesulfonamide

C13H25N3O3S — CID 63140062

IUPACN-[1-(3-ethylpyrrolidine-3-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCCC1(C(=O)N2CCC(NS(C)(=O)=O)CC2)CCNC1
InChIInChI=1S/C13H25N3O3S/c1-3-13(6-7-14-10-13)12(17)16-8-4-11(5-9-16)15-20(2,18)19/h11,14-15H,3-10H2,1-2H3
InChIKeyDRXVXOZHMDNLGU-UHFFFAOYSA-N
MW303.43 g/mol
LogP-0.08
Rot. Bonds4

About N-[1-(3-ethylpyrrolidine-3-carbonyl)piperidin-4-yl]methanesulfonamide

N-[1-(3-ethylpyrrolidine-3-carbonyl)piperidin-4-yl]methanesulfonamide (PubChem CID 63140062) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[1-(3-ethylpyrrolidine-3-carbonyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-ethylpyrrolidine-3-carbonyl)piperidin-4-yl]methanesulfonamide
PubChem CID63140062
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-[1-(3-ethylpyrrolidine-3-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCCC1(C(=O)N2CCC(NS(C)(=O)=O)CC2)CCNC1
InChIInChI=1S/C13H25N3O3S/c1-3-13(6-7-14-10-13)12(17)16-8-4-11(5-9-16)15-20(2,18)19/h11,14-15H,3-10H2,1-2H3
InChIKeyDRXVXOZHMDNLGU-UHFFFAOYSA-N
XLogP-0.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-dimethylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 55165162
(4-tert-butylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 63141988
1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 63140257
N-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-4-yl]methanesulfonamide
CID 115448014
N-[1-(4-ethylpiperidine-4-carbonyl)piperidin-4-yl]propanamide
CID 63128379
(4,4-dimethylazepan-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 65281182
(3-ethylpiperidin-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 63135150
(1-ethylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119564125
azocan-1-yl-(3-ethylpiperidin-3-yl)methanone
CID 55179345
(4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 63128840
(4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63133034
1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 63141064

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethylpyrrolidine-3-carbonyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(3-ethylpyrrolidine-3-carbonyl)piperidin-4-yl]methanesulfonamide (CID 63140062) is N-[1-(3-ethylpyrrolidine-3-carbonyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3-ethylpyrrolidine-3-carbonyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3-ethylpyrrolidine-3-carbonyl)piperidin-4-yl]methanesulfonamide is CCC1(C(=O)N2CCC(NS(C)(=O)=O)CC2)CCNC1.
What is the InChIKey of N-[1-(3-ethylpyrrolidine-3-carbonyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is DRXVXOZHMDNLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-3-13(6-7-14-10-13)12(17)16-8-4-11(5-9-16)15-20(2,18)19/h11,14-15H,3-10H2,1-2H3.
What are the key properties of N-[1-(3-ethylpyrrolidine-3-carbonyl)piperidin-4-yl]methanesulfonamide?
N-[1-(3-ethylpyrrolidine-3-carbonyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 303.43 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethylpyrrolidine-3-carbonyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 63140062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).