N-[3-(pyridin-3-ylmethylamino)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide

C16H23N5O2S — CID 100627148

IUPACN-[3-(pyridin-3-ylmethylamino)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
SMILESO=S(=O)(NCCCNCc1cccnc1)c1cn2c(n1)CCCC2
InChIInChI=1S/C16H23N5O2S/c22-24(23,16-13-21-10-2-1-6-15(21)20-16)19-9-4-8-18-12-14-5-3-7-17-11-14/h3,5,7,11,13,18-19H,1-2,4,6,8-10,12H2
InChIKeyHCMROAIDOFLRSY-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.07
Rot. Bonds8

About N-[3-(pyridin-3-ylmethylamino)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide

N-[3-(pyridin-3-ylmethylamino)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide (PubChem CID 100627148) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[3-(pyridin-3-ylmethylamino)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(pyridin-3-ylmethylamino)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
PubChem CID100627148
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-[3-(pyridin-3-ylmethylamino)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
SMILESO=S(=O)(NCCCNCc1cccnc1)c1cn2c(n1)CCCC2
InChIInChI=1S/C16H23N5O2S/c22-24(23,16-13-21-10-2-1-6-15(21)20-16)19-9-4-8-18-12-14-5-3-7-17-11-14/h3,5,7,11,13,18-19H,1-2,4,6,8-10,12H2
InChIKeyHCMROAIDOFLRSY-UHFFFAOYSA-N
XLogP1.07
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide
CID 43605828
3-[[3-(sulfamoylamino)propylamino]methyl]pyridine
CID 114959317
5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide
CID 43605840
2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide
CID 103951403
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
CID 100628334
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61350746
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346
N-(1-amino-2-methylpropan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride
CID 120874915
N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 63255523
N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 54961065
N'-(pyridin-3-ylmethyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126689

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyridin-3-ylmethylamino)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide?
The IUPAC name of N-[3-(pyridin-3-ylmethylamino)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide (CID 100627148) is N-[3-(pyridin-3-ylmethylamino)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide.
What is the SMILES notation for N-[3-(pyridin-3-ylmethylamino)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide?
The canonical SMILES for N-[3-(pyridin-3-ylmethylamino)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide is O=S(=O)(NCCCNCc1cccnc1)c1cn2c(n1)CCCC2.
What is the InChIKey of N-[3-(pyridin-3-ylmethylamino)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide?
The InChIKey is HCMROAIDOFLRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c22-24(23,16-13-21-10-2-1-6-15(21)20-16)19-9-4-8-18-12-14-5-3-7-17-11-14/h3,5,7,11,13,18-19H,1-2,4,6,8-10,12H2.
What are the key properties of N-[3-(pyridin-3-ylmethylamino)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide?
N-[3-(pyridin-3-ylmethylamino)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide has a molecular weight of 349.46 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyridin-3-ylmethylamino)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide is sourced from PubChem (CID 100627148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).