N-methyl-1-[(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanamine

C10H19F3N2O2S — CID 99922163

IUPACN-methyl-1-[(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanamine
SMILESCNC[C@H]1CCN(S(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O2S/c1-14-7-9-3-5-15(8-9)18(16,17)6-2-4-10(11,12)13/h9,14H,2-8H2,1H3/t9-/m1/s1
InChIKeyYYCDPMRDTWXUGM-SECBINFHSA-N
MW288.34 g/mol
LogP1.20
Rot. Bonds6

About N-methyl-1-[(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanamine

N-methyl-1-[(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanamine (PubChem CID 99922163) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-methyl-1-[(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanamine
PubChem CID99922163
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-methyl-1-[(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanamine
SMILESCNC[C@H]1CCN(S(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O2S/c1-14-7-9-3-5-15(8-9)18(16,17)6-2-4-10(11,12)13/h9,14H,2-8H2,1H3/t9-/m1/s1
InChIKeyYYCDPMRDTWXUGM-SECBINFHSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanamine (CID 99922163) is N-methyl-1-[(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanamine is CNC[C@H]1CCN(S(=O)(=O)CCCC(F)(F)F)C1.
What is the InChIKey of N-methyl-1-[(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanamine?
The InChIKey is YYCDPMRDTWXUGM-SECBINFHSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-14-7-9-3-5-15(8-9)18(16,17)6-2-4-10(11,12)13/h9,14H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of N-methyl-1-[(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanamine has a molecular weight of 288.34 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 99922163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).