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

C11H19N3O4S3 — CID 61299995

IUPACN-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C11H19N3O4S3/c1-2-20(15,16)13-10-3-5-14(6-4-10)21(17,18)11-7-9(12)8-19-11/h7-8,10,13H,2-6,12H2,1H3
InChIKeyRAKWPOKXUQACIA-UHFFFAOYSA-N
MW353.49 g/mol
LogP0.42
Rot. Bonds5

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

N-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]ethanesulfonamide (PubChem CID 61299995) has the molecular formula C11H19N3O4S3 and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]ethanesulfonamide
PubChem CID61299995
Molecular FormulaC11H19N3O4S3
Molecular Weight353.49 g/mol
Exact Mass353.05
IUPAC NameN-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C11H19N3O4S3/c1-2-20(15,16)13-10-3-5-14(6-4-10)21(17,18)11-7-9(12)8-19-11/h7-8,10,13H,2-6,12H2,1H3
InChIKeyRAKWPOKXUQACIA-UHFFFAOYSA-N
XLogP0.42
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-propylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine
CID 61299606
4-amino-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 61300929
N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 102735864
5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine
CID 63623700
1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 61299196
5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]sulfonylthiophen-3-amine
CID 61300000
1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol
CID 81096834
5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine
CID 63605065
1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 61298781
methyl 3-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]propanoate
CID 115533458
N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60962899
1-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]imidazolidin-2-one
CID 61299409

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]ethanesulfonamide (CID 61299995) is N-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(S(=O)(=O)c2cc(N)cs2)CC1.
What is the InChIKey of N-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]ethanesulfonamide?
The InChIKey is RAKWPOKXUQACIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S3/c1-2-20(15,16)13-10-3-5-14(6-4-10)21(17,18)11-7-9(12)8-19-11/h7-8,10,13H,2-6,12H2,1H3.
What are the key properties of N-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]ethanesulfonamide?
N-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]ethanesulfonamide has a molecular weight of 353.49 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 61299995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).