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

C13H21N3O3S — CID 106059988

IUPAC4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)CCCCNC2CC2)cn1
InChIInChI=1S/C13H21N3O3S/c1-19-13-7-6-12(10-15-13)16-20(17,18)9-3-2-8-14-11-4-5-11/h6-7,10-11,14,16H,2-5,8-9H2,1H3
InChIKeyRXQRKKDVPIITQB-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.36
Rot. Bonds9

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

4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide (PubChem CID 106059988) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide
PubChem CID106059988
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)CCCCNC2CC2)cn1
InChIInChI=1S/C13H21N3O3S/c1-19-13-7-6-12(10-15-13)16-20(17,18)9-3-2-8-14-11-4-5-11/h6-7,10-11,14,16H,2-5,8-9H2,1H3
InChIKeyRXQRKKDVPIITQB-UHFFFAOYSA-N
XLogP1.36
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.36
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-ethoxy-3-pyridinyl)butane-1-sulfonamide
CID 106072696
N-(6-ethoxy-3-pyridinyl)-4-(methylamino)butane-1-sulfonamide
CID 106072665
4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide
CID 106060068
N-(6-ethoxy-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106072666
2-(4-fluorophenoxy)-N-(6-methoxy-3-pyridinyl)ethanesulfonamide
CID 110301907
4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide
CID 116815594
2-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)acetamide
CID 60688381
N-[6-(2-methoxyethoxy)-3-pyridinyl]propane-1-sulfonamide
CID 64591758
N-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106026055
4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide
CID 106003237
2-methoxy-5-(sulfamoylamino)pyridine
CID 112573201
4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide
CID 106071188

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide (CID 106059988) is 4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide is COc1ccc(NS(=O)(=O)CCCCNC2CC2)cn1.
What is the InChIKey of 4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide?
The InChIKey is RXQRKKDVPIITQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-19-13-7-6-12(10-15-13)16-20(17,18)9-3-2-8-14-11-4-5-11/h6-7,10-11,14,16H,2-5,8-9H2,1H3.
What are the key properties of 4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide?
4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 1.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide is sourced from PubChem (CID 106059988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).