N-(2-methoxyethyl)-4-(methylamino)-N-propan-2-ylpyridine-3-sulfonamide

C12H21N3O3S — CID 82960227

IUPACN-(2-methoxyethyl)-4-(methylamino)-N-propan-2-ylpyridine-3-sulfonamide
SMILESCNc1ccncc1S(=O)(=O)N(CCOC)C(C)C
InChIInChI=1S/C12H21N3O3S/c1-10(2)15(7-8-18-4)19(16,17)12-9-14-6-5-11(12)13-3/h5-6,9-10H,7-8H2,1-4H3,(H,13,14)
InChIKeyQXOISKCTCFBKPN-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.17
Rot. Bonds7

About N-(2-methoxyethyl)-4-(methylamino)-N-propan-2-ylpyridine-3-sulfonamide

N-(2-methoxyethyl)-4-(methylamino)-N-propan-2-ylpyridine-3-sulfonamide (PubChem CID 82960227) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(methylamino)-N-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(methylamino)-N-propan-2-ylpyridine-3-sulfonamide
PubChem CID82960227
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC NameN-(2-methoxyethyl)-4-(methylamino)-N-propan-2-ylpyridine-3-sulfonamide
SMILESCNc1ccncc1S(=O)(=O)N(CCOC)C(C)C
InChIInChI=1S/C12H21N3O3S/c1-10(2)15(7-8-18-4)19(16,17)12-9-14-6-5-11(12)13-3/h5-6,9-10H,7-8H2,1-4H3,(H,13,14)
InChIKeyQXOISKCTCFBKPN-UHFFFAOYSA-N
XLogP1.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(methylamino)-N-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-4-(methylamino)-N-propan-2-ylpyridine-3-sulfonamide (CID 82960227) is N-(2-methoxyethyl)-4-(methylamino)-N-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(methylamino)-N-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(methylamino)-N-propan-2-ylpyridine-3-sulfonamide is CNc1ccncc1S(=O)(=O)N(CCOC)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-4-(methylamino)-N-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is QXOISKCTCFBKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-10(2)15(7-8-18-4)19(16,17)12-9-14-6-5-11(12)13-3/h5-6,9-10H,7-8H2,1-4H3,(H,13,14).
What are the key properties of N-(2-methoxyethyl)-4-(methylamino)-N-propan-2-ylpyridine-3-sulfonamide?
N-(2-methoxyethyl)-4-(methylamino)-N-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(methylamino)-N-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 82960227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).