N-cyclopropyl-3-methyl-N-(3-methylbutyl)piperidine-1-sulfonamide

C14H28N2O2S — CID 42955208

IUPACN-cyclopropyl-3-methyl-N-(3-methylbutyl)piperidine-1-sulfonamide
SMILESCC(C)CCN(C1CC1)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C14H28N2O2S/c1-12(2)8-10-16(14-6-7-14)19(17,18)15-9-4-5-13(3)11-15/h12-14H,4-11H2,1-3H3
InChIKeyJDLNVDKQNJUDEH-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.47
Rot. Bonds6

About N-cyclopropyl-3-methyl-N-(3-methylbutyl)piperidine-1-sulfonamide

N-cyclopropyl-3-methyl-N-(3-methylbutyl)piperidine-1-sulfonamide (PubChem CID 42955208) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-N-(3-methylbutyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-N-(3-methylbutyl)piperidine-1-sulfonamide
PubChem CID42955208
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-cyclopropyl-3-methyl-N-(3-methylbutyl)piperidine-1-sulfonamide
SMILESCC(C)CCN(C1CC1)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C14H28N2O2S/c1-12(2)8-10-16(14-6-7-14)19(17,18)15-9-4-5-13(3)11-15/h12-14H,4-11H2,1-3H3
InChIKeyJDLNVDKQNJUDEH-UHFFFAOYSA-N
XLogP2.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-N-(3-methylbutyl)piperidine-1-sulfonamide?
The IUPAC name of N-cyclopropyl-3-methyl-N-(3-methylbutyl)piperidine-1-sulfonamide (CID 42955208) is N-cyclopropyl-3-methyl-N-(3-methylbutyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-3-methyl-N-(3-methylbutyl)piperidine-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-3-methyl-N-(3-methylbutyl)piperidine-1-sulfonamide is CC(C)CCN(C1CC1)S(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of N-cyclopropyl-3-methyl-N-(3-methylbutyl)piperidine-1-sulfonamide?
The InChIKey is JDLNVDKQNJUDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-12(2)8-10-16(14-6-7-14)19(17,18)15-9-4-5-13(3)11-15/h12-14H,4-11H2,1-3H3.
What are the key properties of N-cyclopropyl-3-methyl-N-(3-methylbutyl)piperidine-1-sulfonamide?
N-cyclopropyl-3-methyl-N-(3-methylbutyl)piperidine-1-sulfonamide has a molecular weight of 288.46 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-N-(3-methylbutyl)piperidine-1-sulfonamide is sourced from PubChem (CID 42955208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).