N-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride

C14H30ClN3O2S — CID 120903287

IUPACN-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride
SMILESCCN(C1CCN(CC2(C)CCNC2)CC1)S(C)(=O)=O.Cl
InChIInChI=1S/C14H29N3O2S.ClH/c1-4-17(20(3,18)19)13-5-9-16(10-6-13)12-14(2)7-8-15-11-14;/h13,15H,4-12H2,1-3H3;1H
InChIKeyRKMAOFSFCXWOSR-UHFFFAOYSA-N
MW339.93 g/mol
LogP1.15
Rot. Bonds5

About N-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride

N-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride (PubChem CID 120903287) has the molecular formula C14H30ClN3O2S and a molecular weight of 339.93 g/mol. Its IUPAC name is N-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride
PubChem CID120903287
Molecular FormulaC14H30ClN3O2S
Molecular Weight339.93 g/mol
Exact Mass339.17
IUPAC NameN-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride
SMILESCCN(C1CCN(CC2(C)CCNC2)CC1)S(C)(=O)=O.Cl
InChIInChI=1S/C14H29N3O2S.ClH/c1-4-17(20(3,18)19)13-5-9-16(10-6-13)12-14(2)7-8-15-11-14;/h13,15H,4-12H2,1-3H3;1H
InChIKeyRKMAOFSFCXWOSR-UHFFFAOYSA-N
XLogP1.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.93
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
CID 120903377
N,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 63536783
1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpiperidine
CID 120905754
N-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-sulfonamide;hydrochloride
CID 120902113
4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
CID 120899502
N-ethyl-N-[[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 120901182
N,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride
CID 120898363
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(oxan-4-yl)piperazine;hydrochloride
CID 120900887
1-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine;hydrochloride
CID 120905381
(3aR,6aS)-2-methyl-5-[(3-methylpyrrolidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrochloride
CID 120903554
N,N-diethyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide
CID 120897865
1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120897299

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride?
The IUPAC name of N-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride (CID 120903287) is N-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride is CCN(C1CCN(CC2(C)CCNC2)CC1)S(C)(=O)=O.Cl.
What is the InChIKey of N-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride?
The InChIKey is RKMAOFSFCXWOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S.ClH/c1-4-17(20(3,18)19)13-5-9-16(10-6-13)12-14(2)7-8-15-11-14;/h13,15H,4-12H2,1-3H3;1H.
What are the key properties of N-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride?
N-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride has a molecular weight of 339.93 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 120903287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).