3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide

C11H24ClN3O2S — CID 61250445

IUPAC3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide
SMILESCN1CCN(CCCNS(=O)(=O)CCCCl)CC1
InChIInChI=1S/C11H24ClN3O2S/c1-14-7-9-15(10-8-14)6-3-5-13-18(16,17)11-2-4-12/h13H,2-11H2,1H3
InChIKeyFGHJBPGHMVVKDO-UHFFFAOYSA-N
MW297.85 g/mol
LogP0.17
Rot. Bonds8

About 3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide

3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide (PubChem CID 61250445) has the molecular formula C11H24ClN3O2S and a molecular weight of 297.85 g/mol. Its IUPAC name is 3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide
PubChem CID61250445
Molecular FormulaC11H24ClN3O2S
Molecular Weight297.85 g/mol
Exact Mass297.13
IUPAC Name3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide
SMILESCN1CCN(CCCNS(=O)(=O)CCCCl)CC1
InChIInChI=1S/C11H24ClN3O2S/c1-14-7-9-15(10-8-14)6-3-5-13-18(16,17)11-2-4-12/h13H,2-11H2,1H3
InChIKeyFGHJBPGHMVVKDO-UHFFFAOYSA-N
XLogP0.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]propane-1-sulfonamide
CID 61241657
4-chloro-N-(2-piperidin-1-ylethyl)butane-1-sulfonamide
CID 116816051
4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide
CID 114516550
1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride
CID 18413139
3-chloro-N-[3-(2,3-dihydroindol-1-yl)propyl]propane-1-sulfonamide
CID 61248393
N-(2-aminoethyl)-3-chloropropane-1-sulfonamide
CID 61248217
N-(6-chlorohexyl)-2-methylsulfonylethanesulfonamide
CID 107849083
3-chloro-N-(3-methylbutyl)propane-1-sulfonamide
CID 43654031
4-chloro-N-(3-methylsulfinylpropyl)butane-1-sulfonamide
CID 116816553
3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride
CID 119994508
6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163
3-chloro-N-(4,4,4-trifluorobutyl)propane-1-sulfonamide
CID 115521751

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide (CID 61250445) is 3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide is CN1CCN(CCCNS(=O)(=O)CCCCl)CC1.
What is the InChIKey of 3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide?
The InChIKey is FGHJBPGHMVVKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClN3O2S/c1-14-7-9-15(10-8-14)6-3-5-13-18(16,17)11-2-4-12/h13H,2-11H2,1H3.
What are the key properties of 3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide?
3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide has a molecular weight of 297.85 g/mol, XLogP of 0.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide is sourced from PubChem (CID 61250445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).