5-(4-propylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine

C11H19N3O4S3 — CID 61299606

IUPAC5-(4-propylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine
SMILESCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C11H19N3O4S3/c1-2-7-20(15,16)13-3-5-14(6-4-13)21(17,18)11-8-10(12)9-19-11/h8-9H,2-7,12H2,1H3
InChIKeyUEHXEXQLVCWCKR-UHFFFAOYSA-N
MW353.49 g/mol
LogP0.38
Rot. Bonds5

About 5-(4-propylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine

5-(4-propylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine (PubChem CID 61299606) has the molecular formula C11H19N3O4S3 and a molecular weight of 353.49 g/mol. Its IUPAC name is 5-(4-propylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine.

Molecular Properties

Compound Name5-(4-propylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine
PubChem CID61299606
Molecular FormulaC11H19N3O4S3
Molecular Weight353.49 g/mol
Exact Mass353.05
IUPAC Name5-(4-propylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine
SMILESCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C11H19N3O4S3/c1-2-7-20(15,16)13-3-5-14(6-4-13)21(17,18)11-8-10(12)9-19-11/h8-9H,2-7,12H2,1H3
InChIKeyUEHXEXQLVCWCKR-UHFFFAOYSA-N
XLogP0.38
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine
CID 63605065
1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol
CID 81096834
5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine
CID 63623700
methyl 3-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]propanoate
CID 115533458
5-(3-azaspiro[5.5]undecan-3-ylsulfonyl)thiophen-3-amine
CID 62936523
5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]sulfonylthiophen-3-amine
CID 61300000
2-[4-(4-aminothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 61298632
N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 102735864
1-(benzenesulfonyl)-4-propylsulfonylpiperazine
CID 719624
1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 61299196

Frequently Asked Questions

What is the IUPAC name of 5-(4-propylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine?
The IUPAC name of 5-(4-propylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine (CID 61299606) is 5-(4-propylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine.
What is the SMILES notation for 5-(4-propylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine?
The canonical SMILES for 5-(4-propylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine is CCCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(N)cs2)CC1.
What is the InChIKey of 5-(4-propylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine?
The InChIKey is UEHXEXQLVCWCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S3/c1-2-7-20(15,16)13-3-5-14(6-4-13)21(17,18)11-8-10(12)9-19-11/h8-9H,2-7,12H2,1H3.
What are the key properties of 5-(4-propylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine?
5-(4-propylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine has a molecular weight of 353.49 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine is sourced from PubChem (CID 61299606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).