N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide

C17H28N2O3S — CID 112502420

IUPACN-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NCC(C)N2CCCCC2)cc1
InChIInChI=1S/C17H28N2O3S/c1-14(2)22-16-7-9-17(10-8-16)23(20,21)18-13-15(3)19-11-5-4-6-12-19/h7-10,14-15,18H,4-6,11-13H2,1-3H3
InChIKeyYJZVMVNVUKBZOB-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.63
Rot. Bonds7

About N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide

N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide (PubChem CID 112502420) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide
PubChem CID112502420
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NCC(C)N2CCCCC2)cc1
InChIInChI=1S/C17H28N2O3S/c1-14(2)22-16-7-9-17(10-8-16)23(20,21)18-13-15(3)19-11-5-4-6-12-19/h7-10,14-15,18H,4-6,11-13H2,1-3H3
InChIKeyYJZVMVNVUKBZOB-UHFFFAOYSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide
CID 93157622
4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 112502382
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310
3-(4-propan-2-yloxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 110301624
3-bromo-4-methoxy-N-(2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 112727228
N-(2-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 54903887
6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 110301549
3-bromo-4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 106545497
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110292678
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110736321
3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 61060484
N-[(2R)-2-pyrrolidin-1-ylpropyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 42343400

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide (CID 112502420) is N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)NCC(C)N2CCCCC2)cc1.
What is the InChIKey of N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is YJZVMVNVUKBZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-14(2)22-16-7-9-17(10-8-16)23(20,21)18-13-15(3)19-11-5-4-6-12-19/h7-10,14-15,18H,4-6,11-13H2,1-3H3.
What are the key properties of N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide?
N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 112502420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).