5-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride

C14H20ClNO3S2 — CID 65398575

IUPAC5-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride
SMILESCCC1(C)CCN(C(=O)Cc2ccc(S(=O)(=O)Cl)s2)CC1
InChIInChI=1S/C14H20ClNO3S2/c1-3-14(2)6-8-16(9-7-14)12(17)10-11-4-5-13(20-11)21(15,18)19/h4-5H,3,6-10H2,1-2H3
InChIKeyKPTSGUILQLZDRX-UHFFFAOYSA-N
MW349.91 g/mol
LogP3.26
Rot. Bonds4

About 5-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride

5-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride (PubChem CID 65398575) has the molecular formula C14H20ClNO3S2 and a molecular weight of 349.91 g/mol. Its IUPAC name is 5-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride
PubChem CID65398575
Molecular FormulaC14H20ClNO3S2
Molecular Weight349.91 g/mol
Exact Mass349.06
IUPAC Name5-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride
SMILESCCC1(C)CCN(C(=O)Cc2ccc(S(=O)(=O)Cl)s2)CC1
InChIInChI=1S/C14H20ClNO3S2/c1-3-14(2)6-8-16(9-7-14)12(17)10-11-4-5-13(20-11)21(15,18)19/h4-5H,3,6-10H2,1-2H3
InChIKeyKPTSGUILQLZDRX-UHFFFAOYSA-N
XLogP3.26
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 103540932
5-[2-(3-methoxy-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 102970887
1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-sulfanylphenyl)ethanone
CID 107029300
5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 60759039
[5-(4-ethyl-4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 55160071
2-[5-(azepan-1-ylsulfonyl)thiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067970
propyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65395765
5-(4-ethyl-4-methylpiperidine-1-carbonyl)-1-methylpyrrole-3-sulfonyl chloride
CID 65366936
1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 110364906
5-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 62732523
5-[2-(3-methylpentan-3-ylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 106331485
1-(4-ethyl-4-methylpiperidin-1-yl)butane-1,3-dione
CID 63163386

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride (CID 65398575) is 5-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride is CCC1(C)CCN(C(=O)Cc2ccc(S(=O)(=O)Cl)s2)CC1.
What is the InChIKey of 5-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride?
The InChIKey is KPTSGUILQLZDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S2/c1-3-14(2)6-8-16(9-7-14)12(17)10-11-4-5-13(20-11)21(15,18)19/h4-5H,3,6-10H2,1-2H3.
What are the key properties of 5-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride?
5-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride has a molecular weight of 349.91 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 65398575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).