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

C10H15F3N4O2S2 — CID 164641442

IUPACN-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CCCN(c2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C10H15F3N4O2S2/c1-21(18,19)14-5-7-3-2-4-17(6-7)9-16-15-8(20-9)10(11,12)13/h7,14H,2-6H2,1H3/t7-/m1/s1
InChIKeyRYELSCNOOOWHMB-SSDOTTSWSA-N
MW344.38 g/mol
LogP1.32
Rot. Bonds4

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

N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 164641442) has the molecular formula C10H15F3N4O2S2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID164641442
Molecular FormulaC10H15F3N4O2S2
Molecular Weight344.38 g/mol
Exact Mass344.06
IUPAC NameN-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CCCN(c2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C10H15F3N4O2S2/c1-21(18,19)14-5-7-3-2-4-17(6-7)9-16-15-8(20-9)10(11,12)13/h7,14H,2-6H2,1H3/t7-/m1/s1
InChIKeyRYELSCNOOOWHMB-SSDOTTSWSA-N
XLogP1.32
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 51.32
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]methyl]methanesulfonamide?
The IUPAC name of N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methyl]methanesulfonamide (CID 164641442) is N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[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]methyl]methanesulfonamide?
The InChIKey is RYELSCNOOOWHMB-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15F3N4O2S2/c1-21(18,19)14-5-7-3-2-4-17(6-7)9-16-15-8(20-9)10(11,12)13/h7,14H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 344.38 g/mol, XLogP of 1.32, 4 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]methyl]methanesulfonamide is sourced from PubChem (CID 164641442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).