N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine

C4H12F2N2O2S — CID 163275572

IUPACN-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine
SMILESCN(CC(C)(F)F)S(N)(O)O
InChIInChI=1S/C4H12F2N2O2S/c1-4(5,6)3-8(2)11(7,9)10/h9-10H,3,7H2,1-2H3
InChIKeyLIABULNSMFMVLB-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.11
Rot. Bonds3

About N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine

N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine (PubChem CID 163275572) has the molecular formula C4H12F2N2O2S and a molecular weight of 190.21 g/mol. Its IUPAC name is N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine
PubChem CID163275572
Molecular FormulaC4H12F2N2O2S
Molecular Weight190.21 g/mol
Exact Mass190.06
IUPAC NameN-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine
SMILESCN(CC(C)(F)F)S(N)(O)O
InChIInChI=1S/C4H12F2N2O2S/c1-4(5,6)3-8(2)11(7,9)10/h9-10H,3,7H2,1-2H3
InChIKeyLIABULNSMFMVLB-UHFFFAOYSA-N
XLogP1.11
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine?
The IUPAC name of N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine (CID 163275572) is N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine.
What is the SMILES notation for N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine?
The canonical SMILES for N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine is CN(CC(C)(F)F)S(N)(O)O.
What is the InChIKey of N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine?
The InChIKey is LIABULNSMFMVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12F2N2O2S/c1-4(5,6)3-8(2)11(7,9)10/h9-10H,3,7H2,1-2H3.
What are the key properties of N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine?
N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine has a molecular weight of 190.21 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine is sourced from PubChem (CID 163275572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).