4-(4-propan-2-ylpiperazin-1-yl)-N-propylpyridine-3-sulfonamide

C15H26N4O2S — CID 4088031

IUPAC4-(4-propan-2-ylpiperazin-1-yl)-N-propylpyridine-3-sulfonamide
SMILESCCCNS(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1
InChIInChI=1S/C15H26N4O2S/c1-4-6-17-22(20,21)15-12-16-7-5-14(15)19-10-8-18(9-11-19)13(2)3/h5,7,12-13,17H,4,6,8-11H2,1-3H3
InChIKeyRZBKQAMVWNKEIS-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.30
Rot. Bonds6

About 4-(4-propan-2-ylpiperazin-1-yl)-N-propylpyridine-3-sulfonamide

4-(4-propan-2-ylpiperazin-1-yl)-N-propylpyridine-3-sulfonamide (PubChem CID 4088031) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 4-(4-propan-2-ylpiperazin-1-yl)-N-propylpyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(4-propan-2-ylpiperazin-1-yl)-N-propylpyridine-3-sulfonamide
PubChem CID4088031
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name4-(4-propan-2-ylpiperazin-1-yl)-N-propylpyridine-3-sulfonamide
SMILESCCCNS(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1
InChIInChI=1S/C15H26N4O2S/c1-4-6-17-22(20,21)15-12-16-7-5-14(15)19-10-8-18(9-11-19)13(2)3/h5,7,12-13,17H,4,6,8-11H2,1-3H3
InChIKeyRZBKQAMVWNKEIS-UHFFFAOYSA-N
XLogP1.30
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylpiperazin-1-yl)-N-propylpyridine-3-sulfonamide?
The IUPAC name of 4-(4-propan-2-ylpiperazin-1-yl)-N-propylpyridine-3-sulfonamide (CID 4088031) is 4-(4-propan-2-ylpiperazin-1-yl)-N-propylpyridine-3-sulfonamide.
What is the SMILES notation for 4-(4-propan-2-ylpiperazin-1-yl)-N-propylpyridine-3-sulfonamide?
The canonical SMILES for 4-(4-propan-2-ylpiperazin-1-yl)-N-propylpyridine-3-sulfonamide is CCCNS(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1.
What is the InChIKey of 4-(4-propan-2-ylpiperazin-1-yl)-N-propylpyridine-3-sulfonamide?
The InChIKey is RZBKQAMVWNKEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-4-6-17-22(20,21)15-12-16-7-5-14(15)19-10-8-18(9-11-19)13(2)3/h5,7,12-13,17H,4,6,8-11H2,1-3H3.
What are the key properties of 4-(4-propan-2-ylpiperazin-1-yl)-N-propylpyridine-3-sulfonamide?
4-(4-propan-2-ylpiperazin-1-yl)-N-propylpyridine-3-sulfonamide has a molecular weight of 326.47 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylpiperazin-1-yl)-N-propylpyridine-3-sulfonamide is sourced from PubChem (CID 4088031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).