1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol

C10H16N2O3S2 — CID 81096834

IUPAC1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C10H16N2O3S2/c1-10(13)2-4-12(5-3-10)17(14,15)9-6-8(11)7-16-9/h6-7,13H,2-5,11H2,1H3
InChIKeyLWELYYIOSWSDRG-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.87
Rot. Bonds2

About 1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol

1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol (PubChem CID 81096834) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol
PubChem CID81096834
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C10H16N2O3S2/c1-10(13)2-4-12(5-3-10)17(14,15)9-6-8(11)7-16-9/h6-7,13H,2-5,11H2,1H3
InChIKeyLWELYYIOSWSDRG-UHFFFAOYSA-N
XLogP0.87
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminothiophen-2-yl)sulfonyl-3-methylpyrrolidine-3-carboxamide
CID 114081677
5-(3-azaspiro[5.5]undecan-3-ylsulfonyl)thiophen-3-amine
CID 62936523
5-(4-hydroxy-4-methylazepan-1-yl)sulfonylthiophene-3-carboxylic acid
CID 107404041
1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 61298781
5-(4-propylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine
CID 61299606
1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096527
5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine
CID 63623700
N-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]ethanesulfonamide
CID 61299995
1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 61299196
N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 102735864
methyl 3-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]propanoate
CID 115533458
[4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114776164

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol?
The IUPAC name of 1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol (CID 81096834) is 1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol is CC1(O)CCN(S(=O)(=O)c2cc(N)cs2)CC1.
What is the InChIKey of 1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol?
The InChIKey is LWELYYIOSWSDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-10(13)2-4-12(5-3-10)17(14,15)9-6-8(11)7-16-9/h6-7,13H,2-5,11H2,1H3.
What are the key properties of 1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol?
1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol has a molecular weight of 276.38 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol is sourced from PubChem (CID 81096834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).