1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine

C15H25NO4S3 — CID 90590289

IUPAC1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)s1
InChIInChI=1S/C15H25NO4S3/c1-4-13-5-6-15(21-13)23(19,20)16-9-7-14(8-10-16)22(17,18)11-12(2)3/h5-6,12,14H,4,7-11H2,1-3H3
InChIKeyRGJRDOGUGPPKBM-UHFFFAOYSA-N
MW379.57 g/mol
LogP2.53
Rot. Bonds6

About 1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine

1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine (PubChem CID 90590289) has the molecular formula C15H25NO4S3 and a molecular weight of 379.57 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
PubChem CID90590289
Molecular FormulaC15H25NO4S3
Molecular Weight379.57 g/mol
Exact Mass379.09
IUPAC Name1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)s1
InChIInChI=1S/C15H25NO4S3/c1-4-13-5-6-15(21-13)23(19,20)16-9-7-14(8-10-16)22(17,18)11-12(2)3/h5-6,12,14H,4,7-11H2,1-3H3
InChIKeyRGJRDOGUGPPKBM-UHFFFAOYSA-N
XLogP2.53
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 110708849
1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589870
3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 63400980
1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine
CID 90522198
4-[4-(2-methylpropylsulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 90590371
3-(5-ethylthiophen-2-yl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989567
4-chloro-1-(5-ethylthiophen-2-yl)sulfonyl-3-methylpiperidine
CID 114683624
N-cyclopropyl-1-(5-ethylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 113002574
4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 90494131
1-(5-ethylthiophen-2-yl)sulfonyl-4-[(4-fluorophenoxy)methyl]piperidine
CID 110639091

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine (CID 90590289) is 1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine is CCc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine?
The InChIKey is RGJRDOGUGPPKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S3/c1-4-13-5-6-15(21-13)23(19,20)16-9-7-14(8-10-16)22(17,18)11-12(2)3/h5-6,12,14H,4,7-11H2,1-3H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine?
1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine has a molecular weight of 379.57 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine is sourced from PubChem (CID 90590289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).