N-[6,6,6-trifluoro-5-(propan-2-ylamino)hexan-2-yl]methanesulfonamide

C10H21F3N2O2S — CID 170263457

IUPACN-[6,6,6-trifluoro-5-(propan-2-ylamino)hexan-2-yl]methanesulfonamide
SMILESCC(C)NC(CCC(C)NS(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-7(2)14-9(10(11,12)13)6-5-8(3)15-18(4,16)17/h7-9,14-15H,5-6H2,1-4H3
InChIKeyBUKKAJGHJIRFDE-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.63
Rot. Bonds7

About N-[6,6,6-trifluoro-5-(propan-2-ylamino)hexan-2-yl]methanesulfonamide

N-[6,6,6-trifluoro-5-(propan-2-ylamino)hexan-2-yl]methanesulfonamide (PubChem CID 170263457) has the molecular formula C10H21F3N2O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-[6,6,6-trifluoro-5-(propan-2-ylamino)hexan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6,6,6-trifluoro-5-(propan-2-ylamino)hexan-2-yl]methanesulfonamide
PubChem CID170263457
Molecular FormulaC10H21F3N2O2S
Molecular Weight290.35 g/mol
Exact Mass290.13
IUPAC NameN-[6,6,6-trifluoro-5-(propan-2-ylamino)hexan-2-yl]methanesulfonamide
SMILESCC(C)NC(CCC(C)NS(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-7(2)14-9(10(11,12)13)6-5-8(3)15-18(4,16)17/h7-9,14-15H,5-6H2,1-4H3
InChIKeyBUKKAJGHJIRFDE-UHFFFAOYSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6,6,6-trifluoro-5-(propan-2-ylamino)hexan-2-yl]methanesulfonamide?
The IUPAC name of N-[6,6,6-trifluoro-5-(propan-2-ylamino)hexan-2-yl]methanesulfonamide (CID 170263457) is N-[6,6,6-trifluoro-5-(propan-2-ylamino)hexan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[6,6,6-trifluoro-5-(propan-2-ylamino)hexan-2-yl]methanesulfonamide?
The canonical SMILES for N-[6,6,6-trifluoro-5-(propan-2-ylamino)hexan-2-yl]methanesulfonamide is CC(C)NC(CCC(C)NS(C)(=O)=O)C(F)(F)F.
What is the InChIKey of N-[6,6,6-trifluoro-5-(propan-2-ylamino)hexan-2-yl]methanesulfonamide?
The InChIKey is BUKKAJGHJIRFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2S/c1-7(2)14-9(10(11,12)13)6-5-8(3)15-18(4,16)17/h7-9,14-15H,5-6H2,1-4H3.
What are the key properties of N-[6,6,6-trifluoro-5-(propan-2-ylamino)hexan-2-yl]methanesulfonamide?
N-[6,6,6-trifluoro-5-(propan-2-ylamino)hexan-2-yl]methanesulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,6,6-trifluoro-5-(propan-2-ylamino)hexan-2-yl]methanesulfonamide is sourced from PubChem (CID 170263457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).