3-[1-[bis(3-methylbutyl)sulfamoylamino]ethyl]pyridine

C17H31N3O2S — CID 55989545

IUPAC3-[1-[bis(3-methylbutyl)sulfamoylamino]ethyl]pyridine
SMILESCC(C)CCN(CCC(C)C)S(=O)(=O)NC(C)c1cccnc1
InChIInChI=1S/C17H31N3O2S/c1-14(2)8-11-20(12-9-15(3)4)23(21,22)19-16(5)17-7-6-10-18-13-17/h6-7,10,13-16,19H,8-9,11-12H2,1-5H3
InChIKeyLNULCSJLYMOJTH-UHFFFAOYSA-N
MW341.52 g/mol
LogP3.37
Rot. Bonds10

About 3-[1-[bis(3-methylbutyl)sulfamoylamino]ethyl]pyridine

3-[1-[bis(3-methylbutyl)sulfamoylamino]ethyl]pyridine (PubChem CID 55989545) has the molecular formula C17H31N3O2S and a molecular weight of 341.52 g/mol. Its IUPAC name is 3-[1-[bis(3-methylbutyl)sulfamoylamino]ethyl]pyridine.

Molecular Properties

Compound Name3-[1-[bis(3-methylbutyl)sulfamoylamino]ethyl]pyridine
PubChem CID55989545
Molecular FormulaC17H31N3O2S
Molecular Weight341.52 g/mol
Exact Mass341.21
IUPAC Name3-[1-[bis(3-methylbutyl)sulfamoylamino]ethyl]pyridine
SMILESCC(C)CCN(CCC(C)C)S(=O)(=O)NC(C)c1cccnc1
InChIInChI=1S/C17H31N3O2S/c1-14(2)8-11-20(12-9-15(3)4)23(21,22)19-16(5)17-7-6-10-18-13-17/h6-7,10,13-16,19H,8-9,11-12H2,1-5H3
InChIKeyLNULCSJLYMOJTH-UHFFFAOYSA-N
XLogP3.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[bis(3-methylbutyl)sulfamoylamino]ethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine
CID 106021144
2-chloro-N-[(1S)-1-pyridin-3-ylethyl]ethanesulfonamide
CID 107858694
2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 79588957
2-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]acetic acid
CID 81406791
2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 54972222
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide
CID 32677965
1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine
CID 113350765
2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111106
1-methylsulfonyl-N-(1-pyridin-3-ylethyl)propan-2-amine
CID 64631940
1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine
CID 107869311
1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81405088
3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 43397195

Frequently Asked Questions

What is the IUPAC name of 3-[1-[bis(3-methylbutyl)sulfamoylamino]ethyl]pyridine?
The IUPAC name of 3-[1-[bis(3-methylbutyl)sulfamoylamino]ethyl]pyridine (CID 55989545) is 3-[1-[bis(3-methylbutyl)sulfamoylamino]ethyl]pyridine.
What is the SMILES notation for 3-[1-[bis(3-methylbutyl)sulfamoylamino]ethyl]pyridine?
The canonical SMILES for 3-[1-[bis(3-methylbutyl)sulfamoylamino]ethyl]pyridine is CC(C)CCN(CCC(C)C)S(=O)(=O)NC(C)c1cccnc1.
What is the InChIKey of 3-[1-[bis(3-methylbutyl)sulfamoylamino]ethyl]pyridine?
The InChIKey is LNULCSJLYMOJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2S/c1-14(2)8-11-20(12-9-15(3)4)23(21,22)19-16(5)17-7-6-10-18-13-17/h6-7,10,13-16,19H,8-9,11-12H2,1-5H3.
What are the key properties of 3-[1-[bis(3-methylbutyl)sulfamoylamino]ethyl]pyridine?
3-[1-[bis(3-methylbutyl)sulfamoylamino]ethyl]pyridine has a molecular weight of 341.52 g/mol, XLogP of 3.37, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[bis(3-methylbutyl)sulfamoylamino]ethyl]pyridine is sourced from PubChem (CID 55989545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).