2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pentane-1-sulfonamide

C12H24N2O2S — CID 120721535

IUPAC2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pentane-1-sulfonamide
SMILESCCCC(C)CS(=O)(=O)NCC1=CCNCC1
InChIInChI=1S/C12H24N2O2S/c1-3-4-11(2)10-17(15,16)14-9-12-5-7-13-8-6-12/h5,11,13-14H,3-4,6-10H2,1-2H3
InChIKeyAOTXDPXFLNPWSP-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.26
Rot. Bonds7

About 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pentane-1-sulfonamide

2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pentane-1-sulfonamide (PubChem CID 120721535) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pentane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pentane-1-sulfonamide
PubChem CID120721535
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pentane-1-sulfonamide
SMILESCCCC(C)CS(=O)(=O)NCC1=CCNCC1
InChIInChI=1S/C12H24N2O2S/c1-3-4-11(2)10-17(15,16)14-9-12-5-7-13-8-6-12/h5,11,13-14H,3-4,6-10H2,1-2H3
InChIKeyAOTXDPXFLNPWSP-UHFFFAOYSA-N
XLogP1.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pentane-1-sulfonamide?
The IUPAC name of 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pentane-1-sulfonamide (CID 120721535) is 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pentane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pentane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pentane-1-sulfonamide is CCCC(C)CS(=O)(=O)NCC1=CCNCC1.
What is the InChIKey of 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pentane-1-sulfonamide?
The InChIKey is AOTXDPXFLNPWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-3-4-11(2)10-17(15,16)14-9-12-5-7-13-8-6-12/h5,11,13-14H,3-4,6-10H2,1-2H3.
What are the key properties of 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pentane-1-sulfonamide?
2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pentane-1-sulfonamide has a molecular weight of 260.40 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pentane-1-sulfonamide is sourced from PubChem (CID 120721535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).