N-[3-(dimethylamino)propyl]-4-methoxypyridine-3-sulfonamide

C11H19N3O3S — CID 3071739

IUPACN-[3-(dimethylamino)propyl]-4-methoxypyridine-3-sulfonamide
SMILESCOc1ccncc1S(=O)(=O)NCCCN(C)C
InChIInChI=1S/C11H19N3O3S/c1-14(2)8-4-6-13-18(15,16)11-9-12-7-5-10(11)17-3/h5,7,9,13H,4,6,8H2,1-3H3
InChIKeyKOLKIBBJBCIELV-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.32
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-4-methoxypyridine-3-sulfonamide

N-[3-(dimethylamino)propyl]-4-methoxypyridine-3-sulfonamide (PubChem CID 3071739) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-methoxypyridine-3-sulfonamide
PubChem CID3071739
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-[3-(dimethylamino)propyl]-4-methoxypyridine-3-sulfonamide
SMILESCOc1ccncc1S(=O)(=O)NCCCN(C)C
InChIInChI=1S/C11H19N3O3S/c1-14(2)8-4-6-13-18(15,16)11-9-12-7-5-10(11)17-3/h5,7,9,13H,4,6,8H2,1-3H3
InChIKeyKOLKIBBJBCIELV-UHFFFAOYSA-N
XLogP0.32
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-methoxypyridine-3-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-methoxypyridine-3-sulfonamide (CID 3071739) is N-[3-(dimethylamino)propyl]-4-methoxypyridine-3-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-methoxypyridine-3-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-methoxypyridine-3-sulfonamide is COc1ccncc1S(=O)(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-methoxypyridine-3-sulfonamide?
The InChIKey is KOLKIBBJBCIELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-14(2)8-4-6-13-18(15,16)11-9-12-7-5-10(11)17-3/h5,7,9,13H,4,6,8H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-4-methoxypyridine-3-sulfonamide?
N-[3-(dimethylamino)propyl]-4-methoxypyridine-3-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 3071739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).