N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide

C12H19N3O3S2 — CID 106266502

IUPACN-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(S(=O)(=O)c2ccc(CN)s2)CC1
InChIInChI=1S/C12H19N3O3S2/c1-9(16)14-10-4-6-15(7-5-10)20(17,18)12-3-2-11(8-13)19-12/h2-3,10H,4-8,13H2,1H3,(H,14,16)
InChIKeyBGAKCYKHFCLINA-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.50
Rot. Bonds4

About N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide

N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide (PubChem CID 106266502) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide
PubChem CID106266502
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC NameN-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(S(=O)(=O)c2ccc(CN)s2)CC1
InChIInChI=1S/C12H19N3O3S2/c1-9(16)14-10-4-6-15(7-5-10)20(17,18)12-3-2-11(8-13)19-12/h2-3,10H,4-8,13H2,1H3,(H,14,16)
InChIKeyBGAKCYKHFCLINA-UHFFFAOYSA-N
XLogP0.50
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-carbamothioylthiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
CID 106271713
N-cyclopropyl-1-(5-ethylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 113002574
N-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
CID 86861131
1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 154774764
1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol
CID 43520883
N-[2-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 119987630
[1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanol
CID 43520966
1-[5-(2-aminoethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43586343
N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methoxyacetamide
CID 61074103
[5-(4-ethyl-4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 55160071
[5-(1,4-thiazepan-4-ylsulfonyl)thiophen-2-yl]methanamine
CID 61423571
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide (CID 106266502) is N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide is CC(=O)NC1CCN(S(=O)(=O)c2ccc(CN)s2)CC1.
What is the InChIKey of N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide?
The InChIKey is BGAKCYKHFCLINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-9(16)14-10-4-6-15(7-5-10)20(17,18)12-3-2-11(8-13)19-12/h2-3,10H,4-8,13H2,1H3,(H,14,16).
What are the key properties of N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide?
N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide has a molecular weight of 317.44 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 106266502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).