(1-iodopiperidin-3-yl)methanesulfonamide

C6H13IN2O2S — CID 178012534

IUPAC(1-iodopiperidin-3-yl)methanesulfonamide
SMILESNS(=O)(=O)CC1CCCN(I)C1
InChIInChI=1S/C6H13IN2O2S/c7-9-3-1-2-6(4-9)5-12(8,10)11/h6H,1-5H2,(H2,8,10,11)
InChIKeyVIKCEDPAMXZPOF-UHFFFAOYSA-N
MW304.15 g/mol
LogP0.34
Rot. Bonds2

About (1-iodopiperidin-3-yl)methanesulfonamide

(1-iodopiperidin-3-yl)methanesulfonamide (PubChem CID 178012534) has the molecular formula C6H13IN2O2S and a molecular weight of 304.15 g/mol. Its IUPAC name is (1-iodopiperidin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name(1-iodopiperidin-3-yl)methanesulfonamide
PubChem CID178012534
Molecular FormulaC6H13IN2O2S
Molecular Weight304.15 g/mol
Exact Mass303.97
IUPAC Name(1-iodopiperidin-3-yl)methanesulfonamide
SMILESNS(=O)(=O)CC1CCCN(I)C1
InChIInChI=1S/C6H13IN2O2S/c7-9-3-1-2-6(4-9)5-12(8,10)11/h6H,1-5H2,(H2,8,10,11)
InChIKeyVIKCEDPAMXZPOF-UHFFFAOYSA-N
XLogP0.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze (1-iodopiperidin-3-yl)methanesulfonamide 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

[1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide
CID 71994818
[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide
CID 96515238
[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide
CID 154736534
1-(1-iodopiperidin-3-yl)-N,N-dimethylmethanamine
CID 126516325
3-(3-ethylpiperidin-1-yl)propane-1-sulfonamide
CID 115608712
[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]methanesulfonamide
CID 95627720
[1-[(2S,3S)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carbonyl]piperidin-3-yl]methanesulfonamide
CID 128889897
(2S)-N-(tert-butylcarbamoyl)-2-[(3R)-3-(sulfamoylmethyl)piperidin-1-yl]propanamide
CID 100906903
(1-methylazetidin-3-yl)methanesulfonamide
CID 167468977
1-(bromomethylsulfonyl)-3-ethylpiperidine
CID 83093383
[(3R)-1-[(1S)-1-(2,4-difluorophenyl)propyl]piperidin-3-yl]methanesulfonamide
CID 100898380
thian-3-ylmethanesulfonamide
CID 115020407

Frequently Asked Questions

What is the IUPAC name of (1-iodopiperidin-3-yl)methanesulfonamide?
The IUPAC name of (1-iodopiperidin-3-yl)methanesulfonamide (CID 178012534) is (1-iodopiperidin-3-yl)methanesulfonamide.
What is the SMILES notation for (1-iodopiperidin-3-yl)methanesulfonamide?
The canonical SMILES for (1-iodopiperidin-3-yl)methanesulfonamide is NS(=O)(=O)CC1CCCN(I)C1.
What is the InChIKey of (1-iodopiperidin-3-yl)methanesulfonamide?
The InChIKey is VIKCEDPAMXZPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IN2O2S/c7-9-3-1-2-6(4-9)5-12(8,10)11/h6H,1-5H2,(H2,8,10,11).
What are the key properties of (1-iodopiperidin-3-yl)methanesulfonamide?
(1-iodopiperidin-3-yl)methanesulfonamide has a molecular weight of 304.15 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-iodopiperidin-3-yl)methanesulfonamide is sourced from PubChem (CID 178012534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).