N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide

C12H26N2O3S — CID 63869320

IUPACN-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCCOC1CCNCC1
InChIInChI=1S/C12H26N2O3S/c1-2-3-11-18(15,16)14-7-4-10-17-12-5-8-13-9-6-12/h12-14H,2-11H2,1H3
InChIKeyZLHHYGJXPMSHIW-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.86
Rot. Bonds9

About N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide

N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide (PubChem CID 63869320) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide
PubChem CID63869320
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCCOC1CCNCC1
InChIInChI=1S/C12H26N2O3S/c1-2-3-11-18(15,16)14-7-4-10-17-12-5-8-13-9-6-12/h12-14H,2-11H2,1H3
InChIKeyZLHHYGJXPMSHIW-UHFFFAOYSA-N
XLogP0.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylsulfonyl-N-(2-piperidin-4-yloxyethyl)ethanesulfonamide
CID 55252432
4-pentoxypiperidine
CID 43167830
1,1,1-trifluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide
CID 63869486
methyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate
CID 55250997
N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 63623248
N-decylbutane-1-sulfonamide
CID 19681427
methyl 2-(2-piperidin-4-yloxyethylsulfamoyl)acetate
CID 63870829
1-butyl-3-(2-piperidin-4-yloxyethyl)urea
CID 55252329
3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide
CID 63870833
2-methyl-N-(3-piperidin-4-yloxypropyl)-1,3-thiazole-5-sulfonamide
CID 103415141
3-piperidin-4-yloxypropylcarbamic acid
CID 166772010
N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride
CID 119966256

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide?
The IUPAC name of N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide (CID 63869320) is N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide.
What is the SMILES notation for N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide?
The canonical SMILES for N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCCCOC1CCNCC1.
What is the InChIKey of N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide?
The InChIKey is ZLHHYGJXPMSHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-2-3-11-18(15,16)14-7-4-10-17-12-5-8-13-9-6-12/h12-14H,2-11H2,1H3.
What are the key properties of N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide?
N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide is sourced from PubChem (CID 63869320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).