[1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanol

C12H20N2O3S2 — CID 43520966

IUPAC[1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanol
SMILESNCCc1ccc(S(=O)(=O)N2CCC(CO)CC2)s1
InChIInChI=1S/C12H20N2O3S2/c13-6-3-11-1-2-12(18-11)19(16,17)14-7-4-10(9-15)5-8-14/h1-2,10,15H,3-9,13H2
InChIKeyVHNPFOBVLRUTPF-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.64
Rot. Bonds5

About [1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanol

[1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanol (PubChem CID 43520966) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is [1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanol
PubChem CID43520966
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name[1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanol
SMILESNCCc1ccc(S(=O)(=O)N2CCC(CO)CC2)s1
InChIInChI=1S/C12H20N2O3S2/c13-6-3-11-1-2-12(18-11)19(16,17)14-7-4-10(9-15)5-8-14/h1-2,10,15H,3-9,13H2
InChIKeyVHNPFOBVLRUTPF-UHFFFAOYSA-N
XLogP0.64
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol
CID 43520883
1-[5-(2-aminoethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43586343
2-[5-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]ethanamine
CID 61443457
1-[5-(2-aminoethyl)thiophen-2-yl]sulfonyl-4-methylpiperidin-3-ol
CID 102959677
2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 62992395
2-[5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophen-2-yl]ethanamine
CID 54975361
2-[5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 63540471
2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 102959737
2-[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]ethanamine
CID 43520773
2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 54882469
N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide
CID 106266502
2-[5-[3-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophen-2-yl]acetic acid
CID 55030810

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanol?
The IUPAC name of [1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanol (CID 43520966) is [1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanol?
The canonical SMILES for [1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanol is NCCc1ccc(S(=O)(=O)N2CCC(CO)CC2)s1.
What is the InChIKey of [1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanol?
The InChIKey is VHNPFOBVLRUTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c13-6-3-11-1-2-12(18-11)19(16,17)14-7-4-10(9-15)5-8-14/h1-2,10,15H,3-9,13H2.
What are the key properties of [1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanol?
[1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanol has a molecular weight of 304.44 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanol is sourced from PubChem (CID 43520966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).