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

C14H25ClF3N3O2S — CID 166150628

IUPAC1,1,1-trifluoro-N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCC2(CC1)CN(C[C@@H]1CCNC1)C2)C(F)(F)F
InChIInChI=1S/C14H24F3N3O2S.ClH/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;1H/t11-;/m1./s1
InChIKeyZKVUUKXEJRWMBR-RFVHGSKJSA-N
MW391.89 g/mol
LogP1.70
Rot. Bonds4

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

1,1,1-trifluoro-N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride (PubChem CID 166150628) has the molecular formula C14H25ClF3N3O2S and a molecular weight of 391.89 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride
PubChem CID166150628
Molecular FormulaC14H25ClF3N3O2S
Molecular Weight391.89 g/mol
Exact Mass391.13
IUPAC Name1,1,1-trifluoro-N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCC2(CC1)CN(C[C@@H]1CCNC1)C2)C(F)(F)F
InChIInChI=1S/C14H24F3N3O2S.ClH/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;1H/t11-;/m1./s1
InChIKeyZKVUUKXEJRWMBR-RFVHGSKJSA-N
XLogP1.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.89
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride?
The IUPAC name of 1,1,1-trifluoro-N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride (CID 166150628) is 1,1,1-trifluoro-N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride?
The canonical SMILES for 1,1,1-trifluoro-N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride is Cl.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-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride?
The InChIKey is ZKVUUKXEJRWMBR-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H24F3N3O2S.ClH/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;1H/t11-;/m1./s1.
What are the key properties of 1,1,1-trifluoro-N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride?
1,1,1-trifluoro-N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride has a molecular weight of 391.89 g/mol, XLogP of 1.70, 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-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 166150628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).