(3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidine

C7H15F2N3O2S — CID 139343865

IUPAC(3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidine
SMILESC[C@H]1CNC[C@@H](CNS(N)(=O)=O)C1(F)F
InChIInChI=1S/C7H15F2N3O2S/c1-5-2-11-3-6(7(5,8)9)4-12-15(10,13)14/h5-6,11-12H,2-4H2,1H3,(H2,10,13,14)/t5-,6-/m0/s1
InChIKeyJJOBUJFZUODSPL-WDSKDSINSA-N
MW243.28 g/mol
LogP-0.73
Rot. Bonds3

About (3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidine

(3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidine (PubChem CID 139343865) has the molecular formula C7H15F2N3O2S and a molecular weight of 243.28 g/mol. Its IUPAC name is (3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name(3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidine
PubChem CID139343865
Molecular FormulaC7H15F2N3O2S
Molecular Weight243.28 g/mol
Exact Mass243.09
IUPAC Name(3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidine
SMILESC[C@H]1CNC[C@@H](CNS(N)(=O)=O)C1(F)F
InChIInChI=1S/C7H15F2N3O2S/c1-5-2-11-3-6(7(5,8)9)4-12-15(10,13)14/h5-6,11-12H,2-4H2,1H3,(H2,10,13,14)/t5-,6-/m0/s1
InChIKeyJJOBUJFZUODSPL-WDSKDSINSA-N
XLogP-0.73
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of (3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidine (CID 139343865) is (3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for (3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for (3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidine is C[C@H]1CNC[C@@H](CNS(N)(=O)=O)C1(F)F.
What is the InChIKey of (3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidine?
The InChIKey is JJOBUJFZUODSPL-WDSKDSINSA-N. The full InChI is InChI=1S/C7H15F2N3O2S/c1-5-2-11-3-6(7(5,8)9)4-12-15(10,13)14/h5-6,11-12H,2-4H2,1H3,(H2,10,13,14)/t5-,6-/m0/s1.
What are the key properties of (3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidine?
(3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidine has a molecular weight of 243.28 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 139343865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).