1,1,1-trifluoro-N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide

C14H24F3N3O2S — CID 175831597

IUPAC1,1,1-trifluoro-N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide
SMILESO=S(=O)(NC1CCC2(CC1)CN(C[C@H]1CCNC1)C2)C(F)(F)F
InChIInChI=1S/C14H24F3N3O2S/c15-14(16,17)23(21,22)19-12-1-4-13(5-2-12)9-20(10-13)8-11-3-6-18-7-11/h11-12,18-19H,1-10H2/t11-/m0/s1
InChIKeyIPVPKPJOVBPHKT-NSHDSACASA-N
MW355.43 g/mol
LogP1.28
Rot. Bonds4

About 1,1,1-trifluoro-N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide

1,1,1-trifluoro-N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide (PubChem CID 175831597) has the molecular formula C14H24F3N3O2S and a molecular weight of 355.43 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide
PubChem CID175831597
Molecular FormulaC14H24F3N3O2S
Molecular Weight355.43 g/mol
Exact Mass355.15
IUPAC Name1,1,1-trifluoro-N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide
SMILESO=S(=O)(NC1CCC2(CC1)CN(C[C@H]1CCNC1)C2)C(F)(F)F
InChIInChI=1S/C14H24F3N3O2S/c15-14(16,17)23(21,22)19-12-1-4-13(5-2-12)9-20(10-13)8-11-3-6-18-7-11/h11-12,18-19H,1-10H2/t11-/m0/s1
InChIKeyIPVPKPJOVBPHKT-NSHDSACASA-N
XLogP1.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-trifluoro-N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride
CID 166150628
1,1,1-trifluoro-N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide
CID 166150629
N-(2-azaspiro[3.5]nonan-7-yl)-1,1,1-trifluoromethanesulfonamide
CID 166150999
2-(pyrrolidin-3-ylmethyl)-N-(trifluoromethylsulfanyl)-2-azaspiro[3.5]nonan-7-amine
CID 167205389
1,1,1-trifluoro-N-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]methyl]methanesulfonamide
CID 53376311
N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]propane-2-sulfonamide
CID 166150549
N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide;hydrochloride
CID 166150577
N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide
CID 166150578
N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide;hydrochloride
CID 166150605
N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.5]nonan-7-yl]ethanesulfonamide
CID 166150606
N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride
CID 166150610
N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide
CID 166150611

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide (CID 175831597) is 1,1,1-trifluoro-N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide is O=S(=O)(NC1CCC2(CC1)CN(C[C@H]1CCNC1)C2)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide?
The InChIKey is IPVPKPJOVBPHKT-NSHDSACASA-N. The full InChI is InChI=1S/C14H24F3N3O2S/c15-14(16,17)23(21,22)19-12-1-4-13(5-2-12)9-20(10-13)8-11-3-6-18-7-11/h11-12,18-19H,1-10H2/t11-/m0/s1.
What are the key properties of 1,1,1-trifluoro-N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide?
1,1,1-trifluoro-N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide has a molecular weight of 355.43 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide is sourced from PubChem (CID 175831597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).