N-[4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenyl]methanesulfonamide

C16H27N3O2S — CID 167888807

IUPACN-[4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenyl]methanesulfonamide
SMILESCCN1CCC(N(C)Cc2ccc(NS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C16H27N3O2S/c1-4-19-11-9-16(10-12-19)18(2)13-14-5-7-15(8-6-14)17-22(3,20)21/h5-8,16-17H,4,9-13H2,1-3H3
InChIKeyQHUPDZHNWLJMMT-UHFFFAOYSA-N
MW325.48 g/mol
LogP1.97
Rot. Bonds6

About N-[4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenyl]methanesulfonamide

N-[4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenyl]methanesulfonamide (PubChem CID 167888807) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is N-[4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenyl]methanesulfonamide
PubChem CID167888807
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC NameN-[4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenyl]methanesulfonamide
SMILESCCN1CCC(N(C)Cc2ccc(NS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C16H27N3O2S/c1-4-19-11-9-16(10-12-19)18(2)13-14-5-7-15(8-6-14)17-22(3,20)21/h5-8,16-17H,4,9-13H2,1-3H3
InChIKeyQHUPDZHNWLJMMT-UHFFFAOYSA-N
XLogP1.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide
CID 28731349
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 105347432
ethane;N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide
CID 163266604
1,3-diethyl-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea;hydrochloride
CID 67037814
5-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]pyridin-2-amine
CID 55046277
4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-2-fluorobenzoic acid
CID 106699219
1-ethyl-N-methyl-N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-4-amine
CID 113249495
N-[4-[4-[[4-(butylamino)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide
CID 58688850
N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide
CID 38253884
3-tert-butyl-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-1-propylurea
CID 67037854
1-butyl-3-cyclopropyl-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67038842
3-benzyl-1-ethyl-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67038237

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenyl]methanesulfonamide (CID 167888807) is N-[4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenyl]methanesulfonamide is CCN1CCC(N(C)Cc2ccc(NS(C)(=O)=O)cc2)CC1.
What is the InChIKey of N-[4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenyl]methanesulfonamide?
The InChIKey is QHUPDZHNWLJMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-4-19-11-9-16(10-12-19)18(2)13-14-5-7-15(8-6-14)17-22(3,20)21/h5-8,16-17H,4,9-13H2,1-3H3.
What are the key properties of N-[4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenyl]methanesulfonamide?
N-[4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenyl]methanesulfonamide has a molecular weight of 325.48 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 167888807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).