N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-5-sulfonamide

C14H22N2O2S — CID 104773741

IUPACN-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1cccc2c1CCCN2
InChIInChI=1S/C14H22N2O2S/c1-4-16(11(2)3)19(17,18)14-9-5-8-13-12(14)7-6-10-15-13/h5,8-9,11,15H,4,6-7,10H2,1-3H3
InChIKeyZBJWJDVAQBOMIQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.46
Rot. Bonds4

About N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-5-sulfonamide

N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-5-sulfonamide (PubChem CID 104773741) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
PubChem CID104773741
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1cccc2c1CCCN2
InChIInChI=1S/C14H22N2O2S/c1-4-16(11(2)3)19(17,18)14-9-5-8-13-12(14)7-6-10-15-13/h5,8-9,11,15H,4,6-7,10H2,1-3H3
InChIKeyZBJWJDVAQBOMIQ-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The IUPAC name of N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-5-sulfonamide (CID 104773741) is N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-5-sulfonamide.
What is the SMILES notation for N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The canonical SMILES for N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-5-sulfonamide is CCN(C(C)C)S(=O)(=O)c1cccc2c1CCCN2.
What is the InChIKey of N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The InChIKey is ZBJWJDVAQBOMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-16(11(2)3)19(17,18)14-9-5-8-13-12(14)7-6-10-15-13/h5,8-9,11,15H,4,6-7,10H2,1-3H3.
What are the key properties of N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-5-sulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-5-sulfonamide is sourced from PubChem (CID 104773741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).