N-[(3R)-3-aminoheptyl]-1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide

C11H23F3N2O2S — CID 162416662

IUPACN-[(3R)-3-aminoheptyl]-1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide
SMILESCCCC[C@@H](N)CCN(C(C)C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-4-5-6-10(15)7-8-16(9(2)3)19(17,18)11(12,13)14/h9-10H,4-8,15H2,1-3H3/t10-/m1/s1
InChIKeyJESMNCZROCSUSN-SNVBAGLBSA-N
MW304.38 g/mol
LogP2.45
Rot. Bonds8

About N-[(3R)-3-aminoheptyl]-1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide

N-[(3R)-3-aminoheptyl]-1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide (PubChem CID 162416662) has the molecular formula C11H23F3N2O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[(3R)-3-aminoheptyl]-1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-3-aminoheptyl]-1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide
PubChem CID162416662
Molecular FormulaC11H23F3N2O2S
Molecular Weight304.38 g/mol
Exact Mass304.14
IUPAC NameN-[(3R)-3-aminoheptyl]-1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide
SMILESCCCC[C@@H](N)CCN(C(C)C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-4-5-6-10(15)7-8-16(9(2)3)19(17,18)11(12,13)14/h9-10H,4-8,15H2,1-3H3/t10-/m1/s1
InChIKeyJESMNCZROCSUSN-SNVBAGLBSA-N
XLogP2.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-aminoheptyl]-1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-[(3R)-3-aminoheptyl]-1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide (CID 162416662) is N-[(3R)-3-aminoheptyl]-1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-[(3R)-3-aminoheptyl]-1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-[(3R)-3-aminoheptyl]-1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide is CCCC[C@@H](N)CCN(C(C)C)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[(3R)-3-aminoheptyl]-1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide?
The InChIKey is JESMNCZROCSUSN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23F3N2O2S/c1-4-5-6-10(15)7-8-16(9(2)3)19(17,18)11(12,13)14/h9-10H,4-8,15H2,1-3H3/t10-/m1/s1.
What are the key properties of N-[(3R)-3-aminoheptyl]-1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide?
N-[(3R)-3-aminoheptyl]-1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide has a molecular weight of 304.38 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-aminoheptyl]-1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 162416662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).