3-(methylamino)-N-(3-methyl-4-pyridinyl)propane-1-sulfonamide

C10H17N3O2S — CID 106065507

IUPAC3-(methylamino)-N-(3-methyl-4-pyridinyl)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)Nc1ccncc1C
InChIInChI=1S/C10H17N3O2S/c1-9-8-12-6-4-10(9)13-16(14,15)7-3-5-11-2/h4,6,8,11H,3,5,7H2,1-2H3,(H,12,13)
InChIKeyURRZGPQNSBHAGO-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.74
Rot. Bonds6

About 3-(methylamino)-N-(3-methyl-4-pyridinyl)propane-1-sulfonamide

3-(methylamino)-N-(3-methyl-4-pyridinyl)propane-1-sulfonamide (PubChem CID 106065507) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-(methylamino)-N-(3-methyl-4-pyridinyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(methylamino)-N-(3-methyl-4-pyridinyl)propane-1-sulfonamide
PubChem CID106065507
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name3-(methylamino)-N-(3-methyl-4-pyridinyl)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)Nc1ccncc1C
InChIInChI=1S/C10H17N3O2S/c1-9-8-12-6-4-10(9)13-16(14,15)7-3-5-11-2/h4,6,8,11H,3,5,7H2,1-2H3,(H,12,13)
InChIKeyURRZGPQNSBHAGO-UHFFFAOYSA-N
XLogP0.74
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methyl-4-pyridinyl)sulfamoyl]acetic acid
CID 63671711
4-chloro-N-(4-methyl-3-pyridinyl)butane-1-sulfonamide
CID 116816180
N-(4-fluoro-2-methylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 114132436
3-[(4-methyl-3-pyridinyl)sulfamoyl]propanoic acid
CID 63327614
N-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106074571
4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 66524316
N-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 114141081
2-methyl-3-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 106065542
2,5-dimethyl-4-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide
CID 106065515
N-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106065488
N-(4-bromo-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106058558
N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106060812

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(3-methyl-4-pyridinyl)propane-1-sulfonamide?
The IUPAC name of 3-(methylamino)-N-(3-methyl-4-pyridinyl)propane-1-sulfonamide (CID 106065507) is 3-(methylamino)-N-(3-methyl-4-pyridinyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(methylamino)-N-(3-methyl-4-pyridinyl)propane-1-sulfonamide?
The canonical SMILES for 3-(methylamino)-N-(3-methyl-4-pyridinyl)propane-1-sulfonamide is CNCCCS(=O)(=O)Nc1ccncc1C.
What is the InChIKey of 3-(methylamino)-N-(3-methyl-4-pyridinyl)propane-1-sulfonamide?
The InChIKey is URRZGPQNSBHAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-9-8-12-6-4-10(9)13-16(14,15)7-3-5-11-2/h4,6,8,11H,3,5,7H2,1-2H3,(H,12,13).
What are the key properties of 3-(methylamino)-N-(3-methyl-4-pyridinyl)propane-1-sulfonamide?
3-(methylamino)-N-(3-methyl-4-pyridinyl)propane-1-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(3-methyl-4-pyridinyl)propane-1-sulfonamide is sourced from PubChem (CID 106065507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).