N-methyl-1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine

C10H19F3N2O3S — CID 83058104

IUPACN-methyl-1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine
SMILESCNCC1CN(S(=O)(=O)CCCC(F)(F)F)CCO1
InChIInChI=1S/C10H19F3N2O3S/c1-14-7-9-8-15(4-5-18-9)19(16,17)6-2-3-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyFMJMKVIGULZFKP-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.58
Rot. Bonds6

About N-methyl-1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine

N-methyl-1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine (PubChem CID 83058104) has the molecular formula C10H19F3N2O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-methyl-1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine
PubChem CID83058104
Molecular FormulaC10H19F3N2O3S
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC NameN-methyl-1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine
SMILESCNCC1CN(S(=O)(=O)CCCC(F)(F)F)CCO1
InChIInChI=1S/C10H19F3N2O3S/c1-14-7-9-8-15(4-5-18-9)19(16,17)6-2-3-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyFMJMKVIGULZFKP-UHFFFAOYSA-N
XLogP0.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine (CID 83058104) is N-methyl-1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine is CNCC1CN(S(=O)(=O)CCCC(F)(F)F)CCO1.
What is the InChIKey of N-methyl-1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine?
The InChIKey is FMJMKVIGULZFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3S/c1-14-7-9-8-15(4-5-18-9)19(16,17)6-2-3-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of N-methyl-1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine?
N-methyl-1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine has a molecular weight of 304.33 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine is sourced from PubChem (CID 83058104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).