N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)butane-1-sulfonamide

C12H21N3O2S — CID 128995590

IUPACN-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1CCc2nccn2C1
InChIInChI=1S/C12H21N3O2S/c1-2-3-8-18(16,17)14-9-11-4-5-12-13-6-7-15(12)10-11/h6-7,11,14H,2-5,8-10H2,1H3
InChIKeyFMVQKNXORKPSMD-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.16
Rot. Bonds6

About N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)butane-1-sulfonamide

N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)butane-1-sulfonamide (PubChem CID 128995590) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)butane-1-sulfonamide
PubChem CID128995590
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1CCc2nccn2C1
InChIInChI=1S/C12H21N3O2S/c1-2-3-8-18(16,17)14-9-11-4-5-12-13-6-7-15(12)10-11/h6-7,11,14H,2-5,8-10H2,1H3
InChIKeyFMVQKNXORKPSMD-UHFFFAOYSA-N
XLogP1.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)butane-1-sulfonamide?
The IUPAC name of N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)butane-1-sulfonamide (CID 128995590) is N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)butane-1-sulfonamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)butane-1-sulfonamide?
The canonical SMILES for N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCC1CCc2nccn2C1.
What is the InChIKey of N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)butane-1-sulfonamide?
The InChIKey is FMVQKNXORKPSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-2-3-8-18(16,17)14-9-11-4-5-12-13-6-7-15(12)10-11/h6-7,11,14H,2-5,8-10H2,1H3.
What are the key properties of N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)butane-1-sulfonamide?
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)butane-1-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)butane-1-sulfonamide is sourced from PubChem (CID 128995590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).