1-chloro-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide

C8H17ClN2O2S — CID 63666439

IUPAC1-chloro-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCN1CCCC(CNS(=O)(=O)CCl)C1
InChIInChI=1S/C8H17ClN2O2S/c1-11-4-2-3-8(6-11)5-10-14(12,13)7-9/h8,10H,2-7H2,1H3
InChIKeyRKNCNYIKTWMJIT-UHFFFAOYSA-N
MW240.76 g/mol
LogP0.44
Rot. Bonds4

About 1-chloro-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide

1-chloro-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide (PubChem CID 63666439) has the molecular formula C8H17ClN2O2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 1-chloro-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide
PubChem CID63666439
Molecular FormulaC8H17ClN2O2S
Molecular Weight240.76 g/mol
Exact Mass240.07
IUPAC Name1-chloro-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCN1CCCC(CNS(=O)(=O)CCl)C1
InChIInChI=1S/C8H17ClN2O2S/c1-11-4-2-3-8(6-11)5-10-14(12,13)7-9/h8,10H,2-7H2,1H3
InChIKeyRKNCNYIKTWMJIT-UHFFFAOYSA-N
XLogP0.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide
CID 106050486
(3S)-3-(chloromethyl)-1-methylpiperidine
CID 1268113
2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 62159127
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-(4-nitrophenyl)ethanesulfonamide
CID 97346124
3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
CID 115215684
N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973
N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62656970
3-[(1-methylpyrrolidin-3-yl)methylsulfamoyl]propanoic acid
CID 60855399
2-methyl-2-[(1-methylpiperidin-3-yl)methylamino]propanoic acid
CID 114999324
6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62156782
6-amino-5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 64601870

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide (CID 63666439) is 1-chloro-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide is CN1CCCC(CNS(=O)(=O)CCl)C1.
What is the InChIKey of 1-chloro-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide?
The InChIKey is RKNCNYIKTWMJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O2S/c1-11-4-2-3-8(6-11)5-10-14(12,13)7-9/h8,10H,2-7H2,1H3.
What are the key properties of 1-chloro-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide?
1-chloro-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide has a molecular weight of 240.76 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 63666439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).