N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide

C12H19N3O3S2 — CID 102735864

IUPACN-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C12H19N3O3S2/c1-9(16)14-7-10-2-4-15(5-3-10)20(17,18)12-6-11(13)8-19-12/h6,8,10H,2-5,7,13H2,1H3,(H,14,16)
InChIKeyNDRGPWNDIOOPTJ-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.87
Rot. Bonds4

About N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide

N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide (PubChem CID 102735864) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide
PubChem CID102735864
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC NameN-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C12H19N3O3S2/c1-9(16)14-7-10-2-4-15(5-3-10)20(17,18)12-6-11(13)8-19-12/h6,8,10H,2-5,7,13H2,1H3,(H,14,16)
InChIKeyNDRGPWNDIOOPTJ-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 61299196
[1-(4-aminothiophen-2-yl)sulfonylpiperidin-3-yl]methylurea
CID 61300187
1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 61298781
N-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]ethanesulfonamide
CID 61299995
5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]sulfonylthiophen-3-amine
CID 61300000
5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine
CID 63623700
methyl 3-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]propanoate
CID 115533458
N-[[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 102736733
N-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide
CID 102736166
1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol
CID 81096834
5-(4-propylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine
CID 61299606
5-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 60952057

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide (CID 102735864) is N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(S(=O)(=O)c2cc(N)cs2)CC1.
What is the InChIKey of N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide?
The InChIKey is NDRGPWNDIOOPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-9(16)14-7-10-2-4-15(5-3-10)20(17,18)12-6-11(13)8-19-12/h6,8,10H,2-5,7,13H2,1H3,(H,14,16).
What are the key properties of N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide?
N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide has a molecular weight of 317.44 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102735864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).