2,5-dichloro-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]thiophene-3-sulfonamide

C14H22Cl2N2O2S2 — CID 142259996

IUPAC2,5-dichloro-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]thiophene-3-sulfonamide
SMILESCC1CCCC(C)N1CCCNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H22Cl2N2O2S2/c1-10-5-3-6-11(2)18(10)8-4-7-17-22(19,20)12-9-13(15)21-14(12)16/h9-11,17H,3-8H2,1-2H3
InChIKeyPIPWVOKHVPQSDS-UHFFFAOYSA-N
MW385.38 g/mol
LogP3.99
Rot. Bonds6

About 2,5-dichloro-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]thiophene-3-sulfonamide

2,5-dichloro-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]thiophene-3-sulfonamide (PubChem CID 142259996) has the molecular formula C14H22Cl2N2O2S2 and a molecular weight of 385.38 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]thiophene-3-sulfonamide
PubChem CID142259996
Molecular FormulaC14H22Cl2N2O2S2
Molecular Weight385.38 g/mol
Exact Mass384.05
IUPAC Name2,5-dichloro-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]thiophene-3-sulfonamide
SMILESCC1CCCC(C)N1CCCNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H22Cl2N2O2S2/c1-10-5-3-6-11(2)18(10)8-4-7-17-22(19,20)12-9-13(15)21-14(12)16/h9-11,17H,3-8H2,1-2H3
InChIKeyPIPWVOKHVPQSDS-UHFFFAOYSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2,5-dichloro-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]thiophene-3-sulfonamide (CID 142259996) is 2,5-dichloro-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]thiophene-3-sulfonamide is CC1CCCC(C)N1CCCNS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]thiophene-3-sulfonamide?
The InChIKey is PIPWVOKHVPQSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2O2S2/c1-10-5-3-6-11(2)18(10)8-4-7-17-22(19,20)12-9-13(15)21-14(12)16/h9-11,17H,3-8H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]thiophene-3-sulfonamide has a molecular weight of 385.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]thiophene-3-sulfonamide is sourced from PubChem (CID 142259996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).