3-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]pyridine

C12H21N3O2S — CID 47171225

IUPAC3-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]pyridine
SMILESCCCCN(C)S(=O)(=O)NCCc1cccnc1
InChIInChI=1S/C12H21N3O2S/c1-3-4-10-15(2)18(16,17)14-9-7-12-6-5-8-13-11-12/h5-6,8,11,14H,3-4,7,9-10H2,1-2H3
InChIKeyCNHBCHNDTUBZSM-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.19
Rot. Bonds8

About 3-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]pyridine

3-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]pyridine (PubChem CID 47171225) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]pyridine.

Molecular Properties

Compound Name3-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]pyridine
PubChem CID47171225
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name3-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]pyridine
SMILESCCCCN(C)S(=O)(=O)NCCc1cccnc1
InChIInChI=1S/C12H21N3O2S/c1-3-4-10-15(2)18(16,17)14-9-7-12-6-5-8-13-11-12/h5-6,8,11,14H,3-4,7,9-10H2,1-2H3
InChIKeyCNHBCHNDTUBZSM-UHFFFAOYSA-N
XLogP1.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(dimethylsulfamoylamino)butyl]pyridine
CID 110661318
N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine
CID 86931183
3-[2-(sulfamoylamino)ethyl]pyridine
CID 112684347
1-benzyl-2-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]imidazole
CID 86931195
N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide
CID 110661317
2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3838924
N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62560428
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene
CID 106060187
3-methylsulfonyl-N-(2-pyridin-3-ylethyl)propan-1-amine
CID 63190850
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 81241998

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]pyridine?
The IUPAC name of 3-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]pyridine (CID 47171225) is 3-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]pyridine.
What is the SMILES notation for 3-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]pyridine?
The canonical SMILES for 3-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]pyridine is CCCCN(C)S(=O)(=O)NCCc1cccnc1.
What is the InChIKey of 3-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]pyridine?
The InChIKey is CNHBCHNDTUBZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-4-10-15(2)18(16,17)14-9-7-12-6-5-8-13-11-12/h5-6,8,11,14H,3-4,7,9-10H2,1-2H3.
What are the key properties of 3-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]pyridine?
3-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]pyridine has a molecular weight of 271.39 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]pyridine is sourced from PubChem (CID 47171225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).