(R)-N-[3-(4-aminopentan-2-yl)phenyl]-1,1-difluoromethanesulfinamide

C12H18F2N2OS — CID 138714770

IUPAC(R)-N-[3-(4-aminopentan-2-yl)phenyl]-1,1-difluoromethanesulfinamide
SMILESCC(N)CC(C)c1cccc(N[S@](=O)C(F)F)c1
InChIInChI=1S/C12H18F2N2OS/c1-8(6-9(2)15)10-4-3-5-11(7-10)16-18(17)12(13)14/h3-5,7-9,12,16H,6,15H2,1-2H3/t8?,9?,18-/m1/s1
InChIKeyGSDPLOQDYUOFCW-GBKQCDHHSA-N
MW276.35 g/mol
LogP2.83
Rot. Bonds6

About (R)-N-[3-(4-aminopentan-2-yl)phenyl]-1,1-difluoromethanesulfinamide

(R)-N-[3-(4-aminopentan-2-yl)phenyl]-1,1-difluoromethanesulfinamide (PubChem CID 138714770) has the molecular formula C12H18F2N2OS and a molecular weight of 276.35 g/mol. Its IUPAC name is (R)-N-[3-(4-aminopentan-2-yl)phenyl]-1,1-difluoromethanesulfinamide.

Molecular Properties

Compound Name(R)-N-[3-(4-aminopentan-2-yl)phenyl]-1,1-difluoromethanesulfinamide
PubChem CID138714770
Molecular FormulaC12H18F2N2OS
Molecular Weight276.35 g/mol
Exact Mass276.11
IUPAC Name(R)-N-[3-(4-aminopentan-2-yl)phenyl]-1,1-difluoromethanesulfinamide
SMILESCC(N)CC(C)c1cccc(N[S@](=O)C(F)F)c1
InChIInChI=1S/C12H18F2N2OS/c1-8(6-9(2)15)10-4-3-5-11(7-10)16-18(17)12(13)14/h3-5,7-9,12,16H,6,15H2,1-2H3/t8?,9?,18-/m1/s1
InChIKeyGSDPLOQDYUOFCW-GBKQCDHHSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-fluorophenyl)pentan-2-amine
CID 64719405
4-(3-methylphenyl)pentan-2-amine
CID 64719404
4-(3-bromophenyl)pentan-2-amine
CID 83912731
1-propan-2-yl-3-(sulfinatoamino)benzene
CID 154626762
N-[3-[(2S)-1-hydroxypropan-2-yl]phenyl]-4-phenylbenzenesulfinamide
CID 134478846
[3-(1-hydroxypropan-2-yl)phenyl]urea
CID 117284641
N-[3-(4-oxobutan-2-yl)phenyl]methanesulfonamide
CID 117355560
2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride
CID 119314355
N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride
CID 42941938
1-[3-(2-aminopropylamino)phenyl]ethanol
CID 83962997
1-N,1-diphenylbutane-1,3-diamine
CID 542026
(4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide
CID 164942055

Frequently Asked Questions

What is the IUPAC name of (R)-N-[3-(4-aminopentan-2-yl)phenyl]-1,1-difluoromethanesulfinamide?
The IUPAC name of (R)-N-[3-(4-aminopentan-2-yl)phenyl]-1,1-difluoromethanesulfinamide (CID 138714770) is (R)-N-[3-(4-aminopentan-2-yl)phenyl]-1,1-difluoromethanesulfinamide.
What is the SMILES notation for (R)-N-[3-(4-aminopentan-2-yl)phenyl]-1,1-difluoromethanesulfinamide?
The canonical SMILES for (R)-N-[3-(4-aminopentan-2-yl)phenyl]-1,1-difluoromethanesulfinamide is CC(N)CC(C)c1cccc(N[S@](=O)C(F)F)c1.
What is the InChIKey of (R)-N-[3-(4-aminopentan-2-yl)phenyl]-1,1-difluoromethanesulfinamide?
The InChIKey is GSDPLOQDYUOFCW-GBKQCDHHSA-N. The full InChI is InChI=1S/C12H18F2N2OS/c1-8(6-9(2)15)10-4-3-5-11(7-10)16-18(17)12(13)14/h3-5,7-9,12,16H,6,15H2,1-2H3/t8?,9?,18-/m1/s1.
What are the key properties of (R)-N-[3-(4-aminopentan-2-yl)phenyl]-1,1-difluoromethanesulfinamide?
(R)-N-[3-(4-aminopentan-2-yl)phenyl]-1,1-difluoromethanesulfinamide has a molecular weight of 276.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[3-(4-aminopentan-2-yl)phenyl]-1,1-difluoromethanesulfinamide is sourced from PubChem (CID 138714770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).