N-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide

C10H22N2O2S — CID 64586876

IUPACN-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)C1CCCN(C)C1
InChIInChI=1S/C10H22N2O2S/c1-9(2)15(13,14)12(4)10-6-5-7-11(3)8-10/h9-10H,5-8H2,1-4H3
InChIKeyJYFGNIKTZVZYOX-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.75
Rot. Bonds3

About N-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide

N-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide (PubChem CID 64586876) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide
PubChem CID64586876
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)C1CCCN(C)C1
InChIInChI=1S/C10H22N2O2S/c1-9(2)15(13,14)12(4)10-6-5-7-11(3)8-10/h9-10H,5-8H2,1-4H3
InChIKeyJYFGNIKTZVZYOX-UHFFFAOYSA-N
XLogP0.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-N-methylpropane-2-sulfonamide
CID 61383845
N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 64587065
N-methyl-N-(1-methylpiperidin-3-yl)piperidine-4-sulfonamide
CID 62546301
2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]acetic acid
CID 62546054
N-methyl-N-(1-methylpiperidin-3-yl)piperazine-1-sulfonamide
CID 62547844
N-methyl-N-(1-methylpiperidin-3-yl)-2-piperidin-4-ylethanesulfonamide
CID 62546278
2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
CID 62900097
3-N-methyl-3-N-(1-methylpiperidin-3-yl)-1-N-propan-2-ylbutane-1,3-diamine
CID 62545786
(E)-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-2-phenylethenesulfonamide
CID 98526139
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62547305
2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid
CID 66565594
N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylpropane-2-sulfonamide
CID 116817251

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide (CID 64586876) is N-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)N(C)C1CCCN(C)C1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide?
The InChIKey is JYFGNIKTZVZYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-9(2)15(13,14)12(4)10-6-5-7-11(3)8-10/h9-10H,5-8H2,1-4H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide?
N-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide is sourced from PubChem (CID 64586876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).