5-chloro-N-(3-piperidin-4-yloxypropyl)thiophene-2-sulfonamide

C12H19ClN2O3S2 — CID 63869653

IUPAC5-chloro-N-(3-piperidin-4-yloxypropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCOC1CCNCC1)c1ccc(Cl)s1
InChIInChI=1S/C12H19ClN2O3S2/c13-11-2-3-12(19-11)20(16,17)15-6-1-9-18-10-4-7-14-8-5-10/h2-3,10,14-15H,1,4-9H2
InChIKeyHTEXBMCPPZRDHW-UHFFFAOYSA-N
MW338.88 g/mol
LogP1.84
Rot. Bonds7

About 5-chloro-N-(3-piperidin-4-yloxypropyl)thiophene-2-sulfonamide

5-chloro-N-(3-piperidin-4-yloxypropyl)thiophene-2-sulfonamide (PubChem CID 63869653) has the molecular formula C12H19ClN2O3S2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 5-chloro-N-(3-piperidin-4-yloxypropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-piperidin-4-yloxypropyl)thiophene-2-sulfonamide
PubChem CID63869653
Molecular FormulaC12H19ClN2O3S2
Molecular Weight338.88 g/mol
Exact Mass338.05
IUPAC Name5-chloro-N-(3-piperidin-4-yloxypropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCOC1CCNCC1)c1ccc(Cl)s1
InChIInChI=1S/C12H19ClN2O3S2/c13-11-2-3-12(19-11)20(16,17)15-6-1-9-18-10-4-7-14-8-5-10/h2-3,10,14-15H,1,4-9H2
InChIKeyHTEXBMCPPZRDHW-UHFFFAOYSA-N
XLogP1.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-sulfonamide
CID 2260512
5-chloro-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 16196731
5-Chloro-N-(2-morpholinoethyl)thiophene-2-sulfonamide
CID 775849
4-[(5-Chloro-2-thienyl)sulfonyl]-2,6-dimethylmorpholine
CID 2942672
9-((5-Chlorothiophen-2-yl)sulfonyl)-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3681642
2,5-dichloro-N-(3-morpholin-4-ylpropyl)thiophene-3-sulfonamide
CID 44755919
1-((5-Chlorothiophen-2-yl)sulfonyl)-4-methoxypiperidine
CID 49720652
8-((5-Chlorothiophen-2-yl)sulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 56764689
(2R,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine
CID 893450
(2R,6R)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine
CID 893451
(2S,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine
CID 893452
5-chloro-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide
CID 2260511

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-piperidin-4-yloxypropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(3-piperidin-4-yloxypropyl)thiophene-2-sulfonamide (CID 63869653) is 5-chloro-N-(3-piperidin-4-yloxypropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-piperidin-4-yloxypropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-piperidin-4-yloxypropyl)thiophene-2-sulfonamide is O=S(=O)(NCCCOC1CCNCC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3-piperidin-4-yloxypropyl)thiophene-2-sulfonamide?
The InChIKey is HTEXBMCPPZRDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S2/c13-11-2-3-12(19-11)20(16,17)15-6-1-9-18-10-4-7-14-8-5-10/h2-3,10,14-15H,1,4-9H2.
What are the key properties of 5-chloro-N-(3-piperidin-4-yloxypropyl)thiophene-2-sulfonamide?
5-chloro-N-(3-piperidin-4-yloxypropyl)thiophene-2-sulfonamide has a molecular weight of 338.88 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-piperidin-4-yloxypropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 63869653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).