4-[4-[methyl(oxolan-2-ylmethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide

C16H25N3O4S2 — CID 46336000

IUPAC4-[4-[methyl(oxolan-2-ylmethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide
SMILESCN(CC1CCCO1)C1CCN(S(=O)(=O)c2csc(C(N)=O)c2)CC1
InChIInChI=1S/C16H25N3O4S2/c1-18(10-13-3-2-8-23-13)12-4-6-19(7-5-12)25(21,22)14-9-15(16(17)20)24-11-14/h9,11-13H,2-8,10H2,1H3,(H2,17,20)
InChIKeyAEFHZKWBNNZFKT-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.11
Rot. Bonds6

About 4-[4-[methyl(oxolan-2-ylmethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide

4-[4-[methyl(oxolan-2-ylmethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide (PubChem CID 46336000) has the molecular formula C16H25N3O4S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 4-[4-[methyl(oxolan-2-ylmethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[4-[methyl(oxolan-2-ylmethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide
PubChem CID46336000
Molecular FormulaC16H25N3O4S2
Molecular Weight387.53 g/mol
Exact Mass387.13
IUPAC Name4-[4-[methyl(oxolan-2-ylmethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide
SMILESCN(CC1CCCO1)C1CCN(S(=O)(=O)c2csc(C(N)=O)c2)CC1
InChIInChI=1S/C16H25N3O4S2/c1-18(10-13-3-2-8-23-13)12-4-6-19(7-5-12)25(21,22)14-9-15(16(17)20)24-11-14/h9,11-13H,2-8,10H2,1H3,(H2,17,20)
InChIKeyAEFHZKWBNNZFKT-UHFFFAOYSA-N
XLogP1.11
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6486031
1-(4-acetylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide
CID 55613338
4-[benzyl(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 6503608
N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133309603
6-acetyl-2-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 16833682
4-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 47829927
oxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 24557079
1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide
CID 86825291
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46294822
N-cycloheptyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6503522
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55389188
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethanone
CID 41187999

Frequently Asked Questions

What is the IUPAC name of 4-[4-[methyl(oxolan-2-ylmethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide?
The IUPAC name of 4-[4-[methyl(oxolan-2-ylmethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide (CID 46336000) is 4-[4-[methyl(oxolan-2-ylmethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide.
What is the SMILES notation for 4-[4-[methyl(oxolan-2-ylmethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide?
The canonical SMILES for 4-[4-[methyl(oxolan-2-ylmethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide is CN(CC1CCCO1)C1CCN(S(=O)(=O)c2csc(C(N)=O)c2)CC1.
What is the InChIKey of 4-[4-[methyl(oxolan-2-ylmethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide?
The InChIKey is AEFHZKWBNNZFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S2/c1-18(10-13-3-2-8-23-13)12-4-6-19(7-5-12)25(21,22)14-9-15(16(17)20)24-11-14/h9,11-13H,2-8,10H2,1H3,(H2,17,20).
What are the key properties of 4-[4-[methyl(oxolan-2-ylmethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide?
4-[4-[methyl(oxolan-2-ylmethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[methyl(oxolan-2-ylmethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 46336000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).