3-methyl-N-propylpiperidine-1-sulfonamide

C9H20N2O2S — CID 43243603

IUPAC3-methyl-N-propylpiperidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C9H20N2O2S/c1-3-6-10-14(12,13)11-7-4-5-9(2)8-11/h9-10H,3-8H2,1-2H3
InChIKeyDOYVIBAXZROXKQ-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.96
Rot. Bonds4

About 3-methyl-N-propylpiperidine-1-sulfonamide

3-methyl-N-propylpiperidine-1-sulfonamide (PubChem CID 43243603) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 3-methyl-N-propylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-propylpiperidine-1-sulfonamide
PubChem CID43243603
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name3-methyl-N-propylpiperidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C9H20N2O2S/c1-3-6-10-14(12,13)11-7-4-5-9(2)8-11/h9-10H,3-8H2,1-2H3
InChIKeyDOYVIBAXZROXKQ-UHFFFAOYSA-N
XLogP0.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-3-ylmethyl)methanesulfonamide
CID 4343050
4-(2-Aminoethyl)piperidine-1-sulfonamide hydrochloride
CID 12282079
N-(piperidin-3-ylmethyl)aminosulfonamide
CID 21186538
N-[2-(piperidin-4-yl)ethyl]aminosulfonamide hydrochloride
CID 137945309
4-(Aminomethyl)piperidine-1-sulfonamide hydrochloride
CID 154963565
N,N,4-trimethylpiperidine-1-sulfonamide
CID 224932
N-[2-(1-methylpiperidin-4-yl)ethyl]methanesulfonamide
CID 72025553
N-propylpiperidine-1-sulfonamide
CID 43243224
4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide hydrochloride
CID 71756529
(3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide
CID 35431097
N-cyclopentyl-4-methylpiperidine-1-sulfonamide
CID 43053240
4-methyl-N-(3-methylbutan-2-yl)piperidine-1-sulfonamide
CID 43053258

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propylpiperidine-1-sulfonamide?
The IUPAC name of 3-methyl-N-propylpiperidine-1-sulfonamide (CID 43243603) is 3-methyl-N-propylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-propylpiperidine-1-sulfonamide?
The canonical SMILES for 3-methyl-N-propylpiperidine-1-sulfonamide is CCCNS(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of 3-methyl-N-propylpiperidine-1-sulfonamide?
The InChIKey is DOYVIBAXZROXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-6-10-14(12,13)11-7-4-5-9(2)8-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-methyl-N-propylpiperidine-1-sulfonamide?
3-methyl-N-propylpiperidine-1-sulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propylpiperidine-1-sulfonamide is sourced from PubChem (CID 43243603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).