N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide

C14H25N3O2S2 — CID 106064775

IUPACN-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide
SMILESCSCC(C)CNS(=O)(=O)c1ccc(CNC(C)C)cn1
InChIInChI=1S/C14H25N3O2S2/c1-11(2)15-8-13-5-6-14(16-9-13)21(18,19)17-7-12(3)10-20-4/h5-6,9,11-12,15,17H,7-8,10H2,1-4H3
InChIKeyKOROQSLXUDAODW-UHFFFAOYSA-N
MW331.51 g/mol
LogP1.86
Rot. Bonds9

About N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide

N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide (PubChem CID 106064775) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide
PubChem CID106064775
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC NameN-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide
SMILESCSCC(C)CNS(=O)(=O)c1ccc(CNC(C)C)cn1
InChIInChI=1S/C14H25N3O2S2/c1-11(2)15-8-13-5-6-14(16-9-13)21(18,19)17-7-12(3)10-20-4/h5-6,9,11-12,15,17H,7-8,10H2,1-4H3
InChIKeyKOROQSLXUDAODW-UHFFFAOYSA-N
XLogP1.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Ethylsulfonyl)pyridine-2-sulfonamide
CID 164047
6-[(3,4-Difluorophenyl)thio]-5-[(ethylamino)methyl]-pyridine-3-sulfonamide
CID 46888137
6-(Benzylsulfanyl)-3-pyridinesulfonamide
CID 901954
N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 668758
5-Methyl-2-pyridinesulfonamide
CID 3614199
N-(2-methyl-1-(pyridin-2-ylthio)propan-2-yl)benzenesulfonamide
CID 2146790
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(4-methylcyclohexyl)acetamide
CID 16280024
N-[1,1-Dimethyl-2-(pyridin-2-ylsulfanyl)-ethyl]-4-methyl-benzenesulfonamide
CID 975808
5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 2090986
2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 7774952
3-(Pyridin-3-ylmethylcarbamothioylsulfanyl)propane-1-sulfonic acid
CID 127025659
4-(methylthio)-N-[2-(2-pyridinylthio)ethyl]benzenesulfonamide
CID 2267489

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide?
The IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide (CID 106064775) is N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide?
The canonical SMILES for N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide is CSCC(C)CNS(=O)(=O)c1ccc(CNC(C)C)cn1.
What is the InChIKey of N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide?
The InChIKey is KOROQSLXUDAODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-11(2)15-8-13-5-6-14(16-9-13)21(18,19)17-7-12(3)10-20-4/h5-6,9,11-12,15,17H,7-8,10H2,1-4H3.
What are the key properties of N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide?
N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide has a molecular weight of 331.51 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 106064775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).