N-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide

C13H23N3O2S — CID 106070211

IUPACN-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCc1ncccc1NS(=O)(=O)CCCCNC(C)C
InChIInChI=1S/C13H23N3O2S/c1-11(2)14-8-4-5-10-19(17,18)16-13-7-6-9-15-12(13)3/h6-7,9,11,14,16H,4-5,8,10H2,1-3H3
InChIKeyKCBZUAMBYQKSOW-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.91
Rot. Bonds8

About N-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide

N-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide (PubChem CID 106070211) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide
PubChem CID106070211
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCc1ncccc1NS(=O)(=O)CCCCNC(C)C
InChIInChI=1S/C13H23N3O2S/c1-11(2)14-8-4-5-10-19(17,18)16-13-7-6-9-15-12(13)3/h6-7,9,11,14,16H,4-5,8,10H2,1-3H3
InChIKeyKCBZUAMBYQKSOW-UHFFFAOYSA-N
XLogP1.91
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.91
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

N-(2-methylphenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54974110
4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide
CID 106031673
N-(2-bromo-4-methylphenyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106042677
1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide
CID 79043239
N-(2,5-dichlorophenyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106037094
N-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 102806224
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106082965
N-(2-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 79044146
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106082732
N-(2-fluoro-5-methoxyphenyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106071794
N-(6-ethoxy-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106072666
2-(4-aminophenoxy)-N-(2-methyl-3-pyridinyl)ethanesulfonamide
CID 79042980

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The IUPAC name of N-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide (CID 106070211) is N-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The canonical SMILES for N-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide is Cc1ncccc1NS(=O)(=O)CCCCNC(C)C.
What is the InChIKey of N-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The InChIKey is KCBZUAMBYQKSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-11(2)14-8-4-5-10-19(17,18)16-13-7-6-9-15-12(13)3/h6-7,9,11,14,16H,4-5,8,10H2,1-3H3.
What are the key properties of N-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
N-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide is sourced from PubChem (CID 106070211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).