N,N-dimethyl-6-(6-methylheptan-2-ylamino)pyridine-3-sulfonamide

C15H27N3O2S — CID 103340977

IUPACN,N-dimethyl-6-(6-methylheptan-2-ylamino)pyridine-3-sulfonamide
SMILESCC(C)CCCC(C)Nc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C15H27N3O2S/c1-12(2)7-6-8-13(3)17-15-10-9-14(11-16-15)21(19,20)18(4)5/h9-13H,6-8H2,1-5H3,(H,16,17)
InChIKeyDQUKBPZFZDMYFA-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.96
Rot. Bonds8

About N,N-dimethyl-6-(6-methylheptan-2-ylamino)pyridine-3-sulfonamide

N,N-dimethyl-6-(6-methylheptan-2-ylamino)pyridine-3-sulfonamide (PubChem CID 103340977) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N,N-dimethyl-6-(6-methylheptan-2-ylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-(6-methylheptan-2-ylamino)pyridine-3-sulfonamide
PubChem CID103340977
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN,N-dimethyl-6-(6-methylheptan-2-ylamino)pyridine-3-sulfonamide
SMILESCC(C)CCCC(C)Nc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C15H27N3O2S/c1-12(2)7-6-8-13(3)17-15-10-9-14(11-16-15)21(19,20)18(4)5/h9-13H,6-8H2,1-5H3,(H,16,17)
InChIKeyDQUKBPZFZDMYFA-UHFFFAOYSA-N
XLogP2.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113250552
6-[(1-amino-3-methylbutan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341149
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide
CID 103270036
3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 103340902
6-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130
N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
CID 106048482
6-(1-cyclobutylethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103850302
N-(6-methylheptan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63539653
4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 43682515
N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide
CID 104577001
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid
CID 103340909
6-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 62151361

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(6-methylheptan-2-ylamino)pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-(6-methylheptan-2-ylamino)pyridine-3-sulfonamide (CID 103340977) is N,N-dimethyl-6-(6-methylheptan-2-ylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-(6-methylheptan-2-ylamino)pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-(6-methylheptan-2-ylamino)pyridine-3-sulfonamide is CC(C)CCCC(C)Nc1ccc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of N,N-dimethyl-6-(6-methylheptan-2-ylamino)pyridine-3-sulfonamide?
The InChIKey is DQUKBPZFZDMYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-12(2)7-6-8-13(3)17-15-10-9-14(11-16-15)21(19,20)18(4)5/h9-13H,6-8H2,1-5H3,(H,16,17).
What are the key properties of N,N-dimethyl-6-(6-methylheptan-2-ylamino)pyridine-3-sulfonamide?
N,N-dimethyl-6-(6-methylheptan-2-ylamino)pyridine-3-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(6-methylheptan-2-ylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 103340977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).