4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide

C14H23N3O2S — CID 106071188

IUPAC4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)CCCCNC2CC2)c(C)n1
InChIInChI=1S/C14H23N3O2S/c1-11-5-8-14(12(2)16-11)17-20(18,19)10-4-3-9-15-13-6-7-13/h5,8,13,15,17H,3-4,6-7,9-10H2,1-2H3
InChIKeyMOUHKUPMIHGYRT-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.97
Rot. Bonds8

About 4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide

4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide (PubChem CID 106071188) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide
PubChem CID106071188
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)CCCCNC2CC2)c(C)n1
InChIInChI=1S/C14H23N3O2S/c1-11-5-8-14(12(2)16-11)17-20(18,19)10-4-3-9-15-13-6-7-13/h5,8,13,15,17H,3-4,6-7,9-10H2,1-2H3
InChIKeyMOUHKUPMIHGYRT-UHFFFAOYSA-N
XLogP1.97
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dimethyl-3-pyridinyl)-4-(propylamino)butane-1-sulfonamide
CID 106071169
4-(cyclopropylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butane-1-sulfonamide
CID 106083017
N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide
CID 106061301
N-(2-bromo-4-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106043185
4-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide
CID 106005891
N-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106031181
4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide
CID 106003237
3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide
CID 107591687
3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide
CID 106030688
4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide
CID 106059988
N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106029188
4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide
CID 106072696

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide (CID 106071188) is 4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide is Cc1ccc(NS(=O)(=O)CCCCNC2CC2)c(C)n1.
What is the InChIKey of 4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide?
The InChIKey is MOUHKUPMIHGYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11-5-8-14(12(2)16-11)17-20(18,19)10-4-3-9-15-13-6-7-13/h5,8,13,15,17H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide?
4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide is sourced from PubChem (CID 106071188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).