N-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide

C14H25N3O2S2 — CID 115987150

IUPACN-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(C)C(CC)CSC)cn1
InChIInChI=1S/C14H25N3O2S2/c1-5-9-15-14-8-7-13(10-16-14)21(18,19)17(3)12(6-2)11-20-4/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,15,16)
InChIKeyLTPGHNRFDMSQOL-UHFFFAOYSA-N
MW331.51 g/mol
LogP2.67
Rot. Bonds9

About N-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide

N-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide (PubChem CID 115987150) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
PubChem CID115987150
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC NameN-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(C)C(CC)CSC)cn1
InChIInChI=1S/C14H25N3O2S2/c1-5-9-15-14-8-7-13(10-16-14)21(18,19)17(3)12(6-2)11-20-4/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,15,16)
InChIKeyLTPGHNRFDMSQOL-UHFFFAOYSA-N
XLogP2.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide
CID 62147366
6-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 115897757
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide
CID 112664023
N-[3-(dimethylamino)propyl]-N-methyl-6-(propylamino)pyridine-3-sulfonamide
CID 63726875
N-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143975
N-(2-hydroxy-2-methylpropyl)-N-methyl-6-(propylamino)pyridine-3-sulfonamide
CID 79386348
5-chloro-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide
CID 64600685
4-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 115986116
N-(cyclopropylmethyl)-N-ethyl-6-(propylamino)pyridine-3-sulfonamide
CID 63940107
N-butyl-N-cyclopropyl-6-(propylamino)pyridine-3-sulfonamide
CID 62156743
N-methyl-6-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-sulfonamide
CID 62147992
N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143390

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide (CID 115987150) is N-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide is CCCNc1ccc(S(=O)(=O)N(C)C(CC)CSC)cn1.
What is the InChIKey of N-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide?
The InChIKey is LTPGHNRFDMSQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-5-9-15-14-8-7-13(10-16-14)21(18,19)17(3)12(6-2)11-20-4/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,15,16).
What are the key properties of N-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide?
N-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide has a molecular weight of 331.51 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 115987150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).