(3S,6S)-1-thiophen-2-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine

C10H13F3N2O2S2 — CID 129433921

IUPAC(3S,6S)-1-thiophen-2-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine
SMILESN[C@H]1CC[C@@H](C(F)(F)F)N(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C10H13F3N2O2S2/c11-10(12,13)8-4-3-7(14)6-15(8)19(16,17)9-2-1-5-18-9/h1-2,5,7-8H,3-4,6,14H2/t7-,8-/m0/s1
InChIKeyVINAKOLLBDXUOF-YUMQZZPRSA-N
MW314.35 g/mol
LogP1.79
Rot. Bonds2

About (3S,6S)-1-thiophen-2-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine

(3S,6S)-1-thiophen-2-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine (PubChem CID 129433921) has the molecular formula C10H13F3N2O2S2 and a molecular weight of 314.35 g/mol. Its IUPAC name is (3S,6S)-1-thiophen-2-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S,6S)-1-thiophen-2-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine
PubChem CID129433921
Molecular FormulaC10H13F3N2O2S2
Molecular Weight314.35 g/mol
Exact Mass314.04
IUPAC Name(3S,6S)-1-thiophen-2-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine
SMILESN[C@H]1CC[C@@H](C(F)(F)F)N(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C10H13F3N2O2S2/c11-10(12,13)8-4-3-7(14)6-15(8)19(16,17)9-2-1-5-18-9/h1-2,5,7-8H,3-4,6,14H2/t7-,8-/m0/s1
InChIKeyVINAKOLLBDXUOF-YUMQZZPRSA-N
XLogP1.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-thiophen-2-ylsulfonylpyrrolidin-3-amine
CID 62069517
2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine
CID 115312618
7-methoxy-2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptane
CID 131642440
3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119984000
(4-methyl-1-thiophen-2-ylsulfonylpiperazin-2-yl)methanamine
CID 80505797
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
N-tert-butyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7914403
2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine
CID 42930811
N'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide
CID 77041831
2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine
CID 110728294
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
(1R,4S,7S)-7-prop-2-enoxy-2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptane
CID 124869526

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-1-thiophen-2-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine?
The IUPAC name of (3S,6S)-1-thiophen-2-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine (CID 129433921) is (3S,6S)-1-thiophen-2-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine.
What is the SMILES notation for (3S,6S)-1-thiophen-2-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine?
The canonical SMILES for (3S,6S)-1-thiophen-2-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine is N[C@H]1CC[C@@H](C(F)(F)F)N(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of (3S,6S)-1-thiophen-2-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine?
The InChIKey is VINAKOLLBDXUOF-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H13F3N2O2S2/c11-10(12,13)8-4-3-7(14)6-15(8)19(16,17)9-2-1-5-18-9/h1-2,5,7-8H,3-4,6,14H2/t7-,8-/m0/s1.
What are the key properties of (3S,6S)-1-thiophen-2-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine?
(3S,6S)-1-thiophen-2-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine has a molecular weight of 314.35 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-1-thiophen-2-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine is sourced from PubChem (CID 129433921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).