N-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide

C12H25IN2O2S — CID 114008773

IUPACN-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCCCCCCI)CC1
InChIInChI=1S/C12H25IN2O2S/c1-12-6-10-15(11-7-12)18(16,17)14-9-5-3-2-4-8-13/h12,14H,2-11H2,1H3
InChIKeyFHOFNQBOIMNBEE-UHFFFAOYSA-N
MW388.32 g/mol
LogP2.55
Rot. Bonds8

About N-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide

N-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 114008773) has the molecular formula C12H25IN2O2S and a molecular weight of 388.32 g/mol. Its IUPAC name is N-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide
PubChem CID114008773
Molecular FormulaC12H25IN2O2S
Molecular Weight388.32 g/mol
Exact Mass388.07
IUPAC NameN-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCCCCCCI)CC1
InChIInChI=1S/C12H25IN2O2S/c1-12-6-10-15(11-7-12)18(16,17)14-9-5-3-2-4-8-13/h12,14H,2-11H2,1H3
InChIKeyFHOFNQBOIMNBEE-UHFFFAOYSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 104682900
N-(3-iodopropyl)morpholine-4-sulfonamide
CID 114504667
N-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide
CID 62966636
4-methyl-N-prop-2-enylpiperidine-1-sulfonamide
CID 60728428
1-(hexylsulfamoyl)piperidine-4-carboxylic acid
CID 60858433
4-methyl-N-(2-piperazin-1-ylethyl)piperidine-1-sulfonamide;dihydrochloride
CID 119966686
N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide
CID 107848876
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide
CID 115455401
4-methyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-sulfonamide
CID 46958597
4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide
CID 107818664
N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106092792
2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 66174633

Frequently Asked Questions

What is the IUPAC name of N-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide (CID 114008773) is N-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NCCCCCCI)CC1.
What is the InChIKey of N-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is FHOFNQBOIMNBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25IN2O2S/c1-12-6-10-15(11-7-12)18(16,17)14-9-5-3-2-4-8-13/h12,14H,2-11H2,1H3.
What are the key properties of N-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide?
N-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 388.32 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 114008773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).