3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide

C17H28N2O3S — CID 119970212

IUPAC3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)C2CCCNC2)ccc1OC(C)C
InChIInChI=1S/C17H28N2O3S/c1-12(2)22-17-8-7-16(10-13(17)3)23(20,21)19-14(4)15-6-5-9-18-11-15/h7-8,10,12,14-15,18-19H,5-6,9,11H2,1-4H3
InChIKeyLYKOFHALAWJARA-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.45
Rot. Bonds6

About 3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide

3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide (PubChem CID 119970212) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide
PubChem CID119970212
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)C2CCCNC2)ccc1OC(C)C
InChIInChI=1S/C17H28N2O3S/c1-12(2)22-17-8-7-16(10-13(17)3)23(20,21)19-14(4)15-6-5-9-18-11-15/h7-8,10,12,14-15,18-19H,5-6,9,11H2,1-4H3
InChIKeyLYKOFHALAWJARA-UHFFFAOYSA-N
XLogP2.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970228
3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 60764228
4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828938
2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62047418
4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828937
4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62045038
3-methyl-N-(3-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 120724685
3,5-dichloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970234
2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 119970420
2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970419
5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970327
3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723398

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide (CID 119970212) is 3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide is Cc1cc(S(=O)(=O)NC(C)C2CCCNC2)ccc1OC(C)C.
What is the InChIKey of 3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is LYKOFHALAWJARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-12(2)22-17-8-7-16(10-13(17)3)23(20,21)19-14(4)15-6-5-9-18-11-15/h7-8,10,12,14-15,18-19H,5-6,9,11H2,1-4H3.
What are the key properties of 3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide?
3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 119970212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).