N-(1-cyclopropylbutan-2-yl)-2-(methylamino)pyridine-3-sulfonamide

C13H21N3O2S — CID 63995591

IUPACN-(1-cyclopropylbutan-2-yl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1cccnc1NC
InChIInChI=1S/C13H21N3O2S/c1-3-11(9-10-6-7-10)16-19(17,18)12-5-4-8-15-13(12)14-2/h4-5,8,10-11,16H,3,6-7,9H2,1-2H3,(H,14,15)
InChIKeyFQEOFCGTEDZEJC-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.98
Rot. Bonds7

About N-(1-cyclopropylbutan-2-yl)-2-(methylamino)pyridine-3-sulfonamide

N-(1-cyclopropylbutan-2-yl)-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 63995591) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-2-(methylamino)pyridine-3-sulfonamide
PubChem CID63995591
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(1-cyclopropylbutan-2-yl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1cccnc1NC
InChIInChI=1S/C13H21N3O2S/c1-3-11(9-10-6-7-10)16-19(17,18)12-5-4-8-15-13(12)14-2/h4-5,8,10-11,16H,3,6-7,9H2,1-2H3,(H,14,15)
InChIKeyFQEOFCGTEDZEJC-UHFFFAOYSA-N
XLogP1.98
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63994606
N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62145518
2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-sulfonamide
CID 62824766
2-amino-N-pentan-3-ylpyridine-3-sulfonamide
CID 62149159
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693054
N-(2-hydroxycyclohexyl)-2-(methylamino)pyridine-3-sulfonamide
CID 55063851
2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]-N-propylpropanamide
CID 62151211
N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106063941
N-(cyclopropylmethyl)-2-(methylamino)-N-propylpyridine-3-sulfonamide
CID 62156926
N-methyl-2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]propanamide
CID 62159401
N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 106900712
2-(methylamino)-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 113478168

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-2-(methylamino)pyridine-3-sulfonamide (CID 63995591) is N-(1-cyclopropylbutan-2-yl)-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-2-(methylamino)pyridine-3-sulfonamide is CCC(CC1CC1)NS(=O)(=O)c1cccnc1NC.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is FQEOFCGTEDZEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-11(9-10-6-7-10)16-19(17,18)12-5-4-8-15-13(12)14-2/h4-5,8,10-11,16H,3,6-7,9H2,1-2H3,(H,14,15).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-2-(methylamino)pyridine-3-sulfonamide?
N-(1-cyclopropylbutan-2-yl)-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 63995591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).