1-piperidin-4-yl-N-(4-propan-2-yloxybutyl)methanesulfonamide

C13H28N2O3S — CID 106013582

IUPAC1-piperidin-4-yl-N-(4-propan-2-yloxybutyl)methanesulfonamide
SMILESCC(C)OCCCCNS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C13H28N2O3S/c1-12(2)18-10-4-3-7-15-19(16,17)11-13-5-8-14-9-6-13/h12-15H,3-11H2,1-2H3
InChIKeyLKZVMODBNPEPDD-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.11
Rot. Bonds9

About 1-piperidin-4-yl-N-(4-propan-2-yloxybutyl)methanesulfonamide

1-piperidin-4-yl-N-(4-propan-2-yloxybutyl)methanesulfonamide (PubChem CID 106013582) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(4-propan-2-yloxybutyl)methanesulfonamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(4-propan-2-yloxybutyl)methanesulfonamide
PubChem CID106013582
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name1-piperidin-4-yl-N-(4-propan-2-yloxybutyl)methanesulfonamide
SMILESCC(C)OCCCCNS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C13H28N2O3S/c1-12(2)18-10-4-3-7-15-19(16,17)11-13-5-8-14-9-6-13/h12-15H,3-11H2,1-2H3
InChIKeyLKZVMODBNPEPDD-UHFFFAOYSA-N
XLogP1.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide
CID 54974104
2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)ethanesulfonamide
CID 79594316
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 62989954
1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)methanesulfonamide
CID 83144358
N-(piperidin-4-ylmethyl)-2-propan-2-yloxyethanamine
CID 104759387
3-chloro-2-methyl-N-(4-propan-2-yloxybutyl)propane-1-sulfonamide
CID 106014455
N-(dicyclopropylmethyl)-1-piperidin-4-ylmethanesulfonamide
CID 54972712
1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64531586
N-but-3-yn-2-yl-1-piperidin-4-ylmethanesulfonamide
CID 114418202
4-[(sulfamoylamino)methyl]piperidine
CID 24703134
N-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride
CID 120583339
N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide
CID 107848846

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(4-propan-2-yloxybutyl)methanesulfonamide?
The IUPAC name of 1-piperidin-4-yl-N-(4-propan-2-yloxybutyl)methanesulfonamide (CID 106013582) is 1-piperidin-4-yl-N-(4-propan-2-yloxybutyl)methanesulfonamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(4-propan-2-yloxybutyl)methanesulfonamide?
The canonical SMILES for 1-piperidin-4-yl-N-(4-propan-2-yloxybutyl)methanesulfonamide is CC(C)OCCCCNS(=O)(=O)CC1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-N-(4-propan-2-yloxybutyl)methanesulfonamide?
The InChIKey is LKZVMODBNPEPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-12(2)18-10-4-3-7-15-19(16,17)11-13-5-8-14-9-6-13/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-piperidin-4-yl-N-(4-propan-2-yloxybutyl)methanesulfonamide?
1-piperidin-4-yl-N-(4-propan-2-yloxybutyl)methanesulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(4-propan-2-yloxybutyl)methanesulfonamide is sourced from PubChem (CID 106013582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).