N-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]thiophene-2-sulfonamide

C15H24N2O5S3 — CID 96539853

IUPACN-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(S(=O)(=O)CC[C@H]2CCCO2)CC1)c1cccs1
InChIInChI=1S/C15H24N2O5S3/c18-24(19,12-7-14-3-1-10-22-14)17-8-5-13(6-9-17)16-25(20,21)15-4-2-11-23-15/h2,4,11,13-14,16H,1,3,5-10,12H2/t14-/m1/s1
InChIKeyPTVADLQEMQNNFQ-CQSZACIVSA-N
MW408.57 g/mol
LogP1.39
Rot. Bonds7

About N-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]thiophene-2-sulfonamide

N-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 96539853) has the molecular formula C15H24N2O5S3 and a molecular weight of 408.57 g/mol. Its IUPAC name is N-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID96539853
Molecular FormulaC15H24N2O5S3
Molecular Weight408.57 g/mol
Exact Mass408.08
IUPAC NameN-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(S(=O)(=O)CC[C@H]2CCCO2)CC1)c1cccs1
InChIInChI=1S/C15H24N2O5S3/c18-24(19,12-7-14-3-1-10-22-14)17-8-5-13(6-9-17)16-25(20,21)15-4-2-11-23-15/h2,4,11,13-14,16H,1,3,5-10,12H2/t14-/m1/s1
InChIKeyPTVADLQEMQNNFQ-CQSZACIVSA-N
XLogP1.39
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 110871311
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 3483438
N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide
CID 46558306
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
(3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine
CID 97226472
2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide
CID 97096482
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 18102027
N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119930328
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119291186
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55389188
N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
CID 55349251
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]thiophene-2-sulfonamide (CID 96539853) is N-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]thiophene-2-sulfonamide is O=S(=O)(NC1CCN(S(=O)(=O)CC[C@H]2CCCO2)CC1)c1cccs1.
What is the InChIKey of N-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is PTVADLQEMQNNFQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N2O5S3/c18-24(19,12-7-14-3-1-10-22-14)17-8-5-13(6-9-17)16-25(20,21)15-4-2-11-23-15/h2,4,11,13-14,16H,1,3,5-10,12H2/t14-/m1/s1.
What are the key properties of N-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 408.57 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 96539853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).