4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide

C14H23N3O3S — CID 106072696

IUPAC4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)CCCCNC2CC2)cn1
InChIInChI=1S/C14H23N3O3S/c1-2-20-14-8-7-13(11-16-14)17-21(18,19)10-4-3-9-15-12-5-6-12/h7-8,11-12,15,17H,2-6,9-10H2,1H3
InChIKeyZXPPKXISPMJIDP-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.75
Rot. Bonds10

About 4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide

4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide (PubChem CID 106072696) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide
PubChem CID106072696
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)CCCCNC2CC2)cn1
InChIInChI=1S/C14H23N3O3S/c1-2-20-14-8-7-13(11-16-14)17-21(18,19)10-4-3-9-15-12-5-6-12/h7-8,11-12,15,17H,2-6,9-10H2,1H3
InChIKeyZXPPKXISPMJIDP-UHFFFAOYSA-N
XLogP1.75
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide
CID 106059988
N-(6-ethoxy-3-pyridinyl)-4-(methylamino)butane-1-sulfonamide
CID 106072665
N-(6-ethoxy-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106072666
4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide
CID 106060068
N-[6-(2-methoxyethoxy)-3-pyridinyl]propane-1-sulfonamide
CID 64591758
N-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106026055
4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide
CID 116815594
1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
CID 115687753
4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide
CID 106071188
4-(cyclopropylamino)-N-(1,2,4-triazin-3-yl)butane-1-sulfonamide
CID 114142213
N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide
CID 113023763
N-(3-chloro-5-fluorophenyl)-4-(cyclopropylamino)butane-1-sulfonamide
CID 106087948

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide (CID 106072696) is 4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide is CCOc1ccc(NS(=O)(=O)CCCCNC2CC2)cn1.
What is the InChIKey of 4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide?
The InChIKey is ZXPPKXISPMJIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-2-20-14-8-7-13(11-16-14)17-21(18,19)10-4-3-9-15-12-5-6-12/h7-8,11-12,15,17H,2-6,9-10H2,1H3.
What are the key properties of 4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide?
4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.75, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide is sourced from PubChem (CID 106072696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).