N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide

C12H19N3O2S — CID 113023763

IUPACN-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(NC2CC2)cn1
InChIInChI=1S/C12H19N3O2S/c1-2-3-8-18(16,17)15-12-7-6-11(9-13-12)14-10-4-5-10/h6-7,9-10,14H,2-5,8H2,1H3,(H,13,15)
InChIKeyDZMKZSXHFJNGRH-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.20
Rot. Bonds7

About N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide

N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide (PubChem CID 113023763) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide
PubChem CID113023763
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(NC2CC2)cn1
InChIInChI=1S/C12H19N3O2S/c1-2-3-8-18(16,17)15-12-7-6-11(9-13-12)14-10-4-5-10/h6-7,9-10,14H,2-5,8H2,1H3,(H,13,15)
InChIKeyDZMKZSXHFJNGRH-UHFFFAOYSA-N
XLogP2.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-(cyclopropylamino)-2-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-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide
CID 113031365
N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113031592
N-(6-chloro-3-pyridinyl)butane-1-sulfonamide
CID 107095360
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]butane-1-sulfonamide
CID 113026308
N-[5-(cyclopropylamino)-2-pyridinyl]benzenesulfonamide
CID 113023765
N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113037630
N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113023261
N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113024551
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113027137
N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide
CID 113020292
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113035669
ethyl 2-[[6-(butylsulfonylamino)-3-pyridinyl]amino]benzoate
CID 113037031

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide?
The IUPAC name of N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide (CID 113023763) is N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide.
What is the SMILES notation for N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide?
The canonical SMILES for N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(NC2CC2)cn1.
What is the InChIKey of N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide?
The InChIKey is DZMKZSXHFJNGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-2-3-8-18(16,17)15-12-7-6-11(9-13-12)14-10-4-5-10/h6-7,9-10,14H,2-5,8H2,1H3,(H,13,15).
What are the key properties of N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide?
N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide is sourced from PubChem (CID 113023763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).