N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide

C13H27FN2O2S — CID 99848916

IUPACN-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide
SMILESC[C@@H]1C[C@@H](C)CN(C[C@H](C)NS(=O)(=O)CCCF)C1
InChIInChI=1S/C13H27FN2O2S/c1-11-7-12(2)9-16(8-11)10-13(3)15-19(17,18)6-4-5-14/h11-13,15H,4-10H2,1-3H3/t11-,12-,13+/m1/s1
InChIKeyOBEDVIDFJCQIIR-UPJWGTAASA-N
MW294.44 g/mol
LogP1.63
Rot. Bonds7

About N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide

N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide (PubChem CID 99848916) has the molecular formula C13H27FN2O2S and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide
PubChem CID99848916
Molecular FormulaC13H27FN2O2S
Molecular Weight294.44 g/mol
Exact Mass294.18
IUPAC NameN-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide
SMILESC[C@@H]1C[C@@H](C)CN(C[C@H](C)NS(=O)(=O)CCCF)C1
InChIInChI=1S/C13H27FN2O2S/c1-11-7-12(2)9-16(8-11)10-13(3)15-19(17,18)6-4-5-14/h11-13,15H,4-10H2,1-3H3/t11-,12-,13+/m1/s1
InChIKeyOBEDVIDFJCQIIR-UPJWGTAASA-N
XLogP1.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide?
The IUPAC name of N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide (CID 99848916) is N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide is C[C@@H]1C[C@@H](C)CN(C[C@H](C)NS(=O)(=O)CCCF)C1.
What is the InChIKey of N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide?
The InChIKey is OBEDVIDFJCQIIR-UPJWGTAASA-N. The full InChI is InChI=1S/C13H27FN2O2S/c1-11-7-12(2)9-16(8-11)10-13(3)15-19(17,18)6-4-5-14/h11-13,15H,4-10H2,1-3H3/t11-,12-,13+/m1/s1.
What are the key properties of N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide?
N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide has a molecular weight of 294.44 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 99848916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).