5-amino-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide

C13H23N3O2S — CID 82222964

IUPAC5-amino-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1cncc(N)c1
InChIInChI=1S/C13H23N3O2S/c1-10(2)8-16(9-11(3)4)19(17,18)13-5-12(14)6-15-7-13/h5-7,10-11H,8-9,14H2,1-4H3
InChIKeyKOPMOXUFGHKZSW-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.97
Rot. Bonds6

About 5-amino-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide

5-amino-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide (PubChem CID 82222964) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 5-amino-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide
PubChem CID82222964
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name5-amino-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1cncc(N)c1
InChIInChI=1S/C13H23N3O2S/c1-10(2)8-16(9-11(3)4)19(17,18)13-5-12(14)6-15-7-13/h5-7,10-11H,8-9,14H2,1-4H3
InChIKeyKOPMOXUFGHKZSW-UHFFFAOYSA-N
XLogP1.97
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide
CID 826892
3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587375
3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587373
5-amino-N-butyl-N-methylpyridine-3-sulfonamide
CID 82222996
5-amino-N-methyl-N-phenylpyridine-3-sulfonamide
CID 82222998
3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 63322704
2-[(3-amino-5-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61115052
[(6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-yl] N-[(2S,3R)-4-[(5-amino-3-pyridinyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 58853129
2-[(5-amino-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid
CID 82222841
5-(2-methylpropyl)pyridin-3-amine
CID 82417429
4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587401
5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587392

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 5-amino-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide (CID 82222964) is 5-amino-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-amino-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-amino-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide is CC(C)CN(CC(C)C)S(=O)(=O)c1cncc(N)c1.
What is the InChIKey of 5-amino-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide?
The InChIKey is KOPMOXUFGHKZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-10(2)8-16(9-11(3)4)19(17,18)13-5-12(14)6-15-7-13/h5-7,10-11H,8-9,14H2,1-4H3.
What are the key properties of 5-amino-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide?
5-amino-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 82222964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).