[4-(difluoromethylsulfonyl)morpholin-2-yl]methanamine

C6H12F2N2O3S — CID 61337995

IUPAC[4-(difluoromethylsulfonyl)morpholin-2-yl]methanamine
SMILESNCC1CN(S(=O)(=O)C(F)F)CCO1
InChIInChI=1S/C6H12F2N2O3S/c7-6(8)14(11,12)10-1-2-13-5(3-9)4-10/h5-6H,1-4,9H2
InChIKeyQDKHYNCGVQLWIQ-UHFFFAOYSA-N
MW230.24 g/mol
LogP-0.80
Rot. Bonds3

About [4-(difluoromethylsulfonyl)morpholin-2-yl]methanamine

[4-(difluoromethylsulfonyl)morpholin-2-yl]methanamine (PubChem CID 61337995) has the molecular formula C6H12F2N2O3S and a molecular weight of 230.24 g/mol. Its IUPAC name is [4-(difluoromethylsulfonyl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethylsulfonyl)morpholin-2-yl]methanamine
PubChem CID61337995
Molecular FormulaC6H12F2N2O3S
Molecular Weight230.24 g/mol
Exact Mass230.05
IUPAC Name[4-(difluoromethylsulfonyl)morpholin-2-yl]methanamine
SMILESNCC1CN(S(=O)(=O)C(F)F)CCO1
InChIInChI=1S/C6H12F2N2O3S/c7-6(8)14(11,12)10-1-2-13-5(3-9)4-10/h5-6H,1-4,9H2
InChIKeyQDKHYNCGVQLWIQ-UHFFFAOYSA-N
XLogP-0.80
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethylsulfonyl)morpholin-2-yl]methanamine?
The IUPAC name of [4-(difluoromethylsulfonyl)morpholin-2-yl]methanamine (CID 61337995) is [4-(difluoromethylsulfonyl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-(difluoromethylsulfonyl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-(difluoromethylsulfonyl)morpholin-2-yl]methanamine is NCC1CN(S(=O)(=O)C(F)F)CCO1.
What is the InChIKey of [4-(difluoromethylsulfonyl)morpholin-2-yl]methanamine?
The InChIKey is QDKHYNCGVQLWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O3S/c7-6(8)14(11,12)10-1-2-13-5(3-9)4-10/h5-6H,1-4,9H2.
What are the key properties of [4-(difluoromethylsulfonyl)morpholin-2-yl]methanamine?
[4-(difluoromethylsulfonyl)morpholin-2-yl]methanamine has a molecular weight of 230.24 g/mol, XLogP of -0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethylsulfonyl)morpholin-2-yl]methanamine is sourced from PubChem (CID 61337995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).