5-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]thiophene-2-sulfonamide;hydrochloride

C14H24Cl2N2O2S2 — CID 126479744

IUPAC5-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]thiophene-2-sulfonamide;hydrochloride
SMILESCC1CC(C)CN(CCCNS(=O)(=O)c2ccc(Cl)s2)C1.Cl
InChIInChI=1S/C14H23ClN2O2S2.ClH/c1-11-8-12(2)10-17(9-11)7-3-6-16-21(18,19)14-5-4-13(15)20-14;/h4-5,11-12,16H,3,6-10H2,1-2H3;1H
InChIKeyUTLFBRVEXNKHKJ-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.47
Rot. Bonds6

About 5-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]thiophene-2-sulfonamide;hydrochloride

5-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]thiophene-2-sulfonamide;hydrochloride (PubChem CID 126479744) has the molecular formula C14H24Cl2N2O2S2 and a molecular weight of 387.40 g/mol. Its IUPAC name is 5-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]thiophene-2-sulfonamide;hydrochloride
PubChem CID126479744
Molecular FormulaC14H24Cl2N2O2S2
Molecular Weight387.40 g/mol
Exact Mass386.07
IUPAC Name5-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]thiophene-2-sulfonamide;hydrochloride
SMILESCC1CC(C)CN(CCCNS(=O)(=O)c2ccc(Cl)s2)C1.Cl
InChIInChI=1S/C14H23ClN2O2S2.ClH/c1-11-8-12(2)10-17(9-11)7-3-6-16-21(18,19)14-5-4-13(15)20-14;/h4-5,11-12,16H,3,6-10H2,1-2H3;1H
InChIKeyUTLFBRVEXNKHKJ-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.47
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 5-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 5-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]thiophene-2-sulfonamide;hydrochloride (CID 126479744) is 5-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]thiophene-2-sulfonamide;hydrochloride is CC1CC(C)CN(CCCNS(=O)(=O)c2ccc(Cl)s2)C1.Cl.
What is the InChIKey of 5-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is UTLFBRVEXNKHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2S2.ClH/c1-11-8-12(2)10-17(9-11)7-3-6-16-21(18,19)14-5-4-13(15)20-14;/h4-5,11-12,16H,3,6-10H2,1-2H3;1H.
What are the key properties of 5-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]thiophene-2-sulfonamide;hydrochloride?
5-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 387.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 126479744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).