N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide

C16H26N2O3S — CID 110736321

IUPACN-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NCC2CCN(C)CC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-13(2)21-15-4-6-16(7-5-15)22(19,20)17-12-14-8-10-18(3)11-9-14/h4-7,13-14,17H,8-12H2,1-3H3
InChIKeyOWZGSRDGTCLDRE-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.09
Rot. Bonds6

About N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide

N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 110736321) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID110736321
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NCC2CCN(C)CC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-13(2)21-15-4-6-16(7-5-15)22(19,20)17-12-14-8-10-18(3)11-9-14/h4-7,13-14,17H,8-12H2,1-3H3
InChIKeyOWZGSRDGTCLDRE-UHFFFAOYSA-N
XLogP2.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide
CID 110736348
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887425
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887423
2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 16887477
N-[2-[4-(azidomethyl)piperidin-1-yl]ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 162435422
4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60854923
3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887427
3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887449
3-chloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887439
N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 110736220
N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide
CID 112502420
4-fluoro-N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
CID 134131984

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide (CID 110736321) is N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)NCC2CCN(C)CC2)cc1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is OWZGSRDGTCLDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13(2)21-15-4-6-16(7-5-15)22(19,20)17-12-14-8-10-18(3)11-9-14/h4-7,13-14,17H,8-12H2,1-3H3.
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 110736321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).