N-[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanesulfonamide

C9H13F3N4O2S2 — CID 99630906

IUPACN-[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN(c2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C9H13F3N4O2S2/c1-20(17,18)15-6-3-2-4-16(5-6)8-14-13-7(19-8)9(10,11)12/h6,15H,2-5H2,1H3/t6-/m0/s1
InChIKeyDURCVIOMOFWTTA-LURJTMIESA-N
MW330.36 g/mol
LogP1.07
Rot. Bonds3

About N-[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanesulfonamide

N-[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanesulfonamide (PubChem CID 99630906) has the molecular formula C9H13F3N4O2S2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanesulfonamide
PubChem CID99630906
Molecular FormulaC9H13F3N4O2S2
Molecular Weight330.36 g/mol
Exact Mass330.04
IUPAC NameN-[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN(c2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C9H13F3N4O2S2/c1-20(17,18)15-6-3-2-4-16(5-6)8-14-13-7(19-8)9(10,11)12/h6,15H,2-5H2,1H3/t6-/m0/s1
InChIKeyDURCVIOMOFWTTA-LURJTMIESA-N
XLogP1.07
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanesulfonamide (CID 99630906) is N-[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCCN(c2nnc(C(F)(F)F)s2)C1.
What is the InChIKey of N-[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanesulfonamide?
The InChIKey is DURCVIOMOFWTTA-LURJTMIESA-N. The full InChI is InChI=1S/C9H13F3N4O2S2/c1-20(17,18)15-6-3-2-4-16(5-6)8-14-13-7(19-8)9(10,11)12/h6,15H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of N-[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanesulfonamide?
N-[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanesulfonamide has a molecular weight of 330.36 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 99630906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).