N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-1,1,1-trifluoro-N-methylmethanesulfonamide

C11H23F3N2O2S — CID 58821834

IUPACN-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCC(C)N[C@H](CN(C)S(=O)(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H23F3N2O2S/c1-8(2)15-9(10(3,4)5)7-16(6)19(17,18)11(12,13)14/h8-9,15H,7H2,1-6H3/t9-/m1/s1
InChIKeyRVGFMAQIWWDPFZ-SECBINFHSA-N
MW304.38 g/mol
LogP2.18
Rot. Bonds5

About N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-1,1,1-trifluoro-N-methylmethanesulfonamide

N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-1,1,1-trifluoro-N-methylmethanesulfonamide (PubChem CID 58821834) has the molecular formula C11H23F3N2O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-1,1,1-trifluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-1,1,1-trifluoro-N-methylmethanesulfonamide
PubChem CID58821834
Molecular FormulaC11H23F3N2O2S
Molecular Weight304.38 g/mol
Exact Mass304.14
IUPAC NameN-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCC(C)N[C@H](CN(C)S(=O)(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H23F3N2O2S/c1-8(2)15-9(10(3,4)5)7-16(6)19(17,18)11(12,13)14/h8-9,15H,7H2,1-6H3/t9-/m1/s1
InChIKeyRVGFMAQIWWDPFZ-SECBINFHSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-1,1,1-trifluoro-N-methylmethanesulfonamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-1,1,1-trifluoro-N-methylmethanesulfonamide (CID 58821834) is N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-1,1,1-trifluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-1,1,1-trifluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-1,1,1-trifluoro-N-methylmethanesulfonamide is CC(C)N[C@H](CN(C)S(=O)(=O)C(F)(F)F)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-1,1,1-trifluoro-N-methylmethanesulfonamide?
The InChIKey is RVGFMAQIWWDPFZ-SECBINFHSA-N. The full InChI is InChI=1S/C11H23F3N2O2S/c1-8(2)15-9(10(3,4)5)7-16(6)19(17,18)11(12,13)14/h8-9,15H,7H2,1-6H3/t9-/m1/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-1,1,1-trifluoro-N-methylmethanesulfonamide?
N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-1,1,1-trifluoro-N-methylmethanesulfonamide has a molecular weight of 304.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-1,1,1-trifluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 58821834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).