N-[(2S)-2-amino-3-methylbutyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

C9H13F9N2O2S — CID 71467027

IUPACN-[(2S)-2-amino-3-methylbutyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESCC(C)[C@H](N)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F9N2O2S/c1-4(2)5(19)3-20-23(21,22)9(17,18)7(12,13)6(10,11)8(14,15)16/h4-5,20H,3,19H2,1-2H3/t5-/m1/s1
InChIKeyLCROMADRNFAIKT-RXMQYKEDSA-N
MW384.26 g/mol
LogP2.31
Rot. Bonds7

About N-[(2S)-2-amino-3-methylbutyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

N-[(2S)-2-amino-3-methylbutyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (PubChem CID 71467027) has the molecular formula C9H13F9N2O2S and a molecular weight of 384.26 g/mol. Its IUPAC name is N-[(2S)-2-amino-3-methylbutyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-3-methylbutyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
PubChem CID71467027
Molecular FormulaC9H13F9N2O2S
Molecular Weight384.26 g/mol
Exact Mass384.06
IUPAC NameN-[(2S)-2-amino-3-methylbutyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESCC(C)[C@H](N)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F9N2O2S/c1-4(2)5(19)3-20-23(21,22)9(17,18)7(12,13)6(10,11)8(14,15)16/h4-5,20H,3,19H2,1-2H3/t5-/m1/s1
InChIKeyLCROMADRNFAIKT-RXMQYKEDSA-N
XLogP2.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-3-methylbutyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The IUPAC name of N-[(2S)-2-amino-3-methylbutyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (CID 71467027) is N-[(2S)-2-amino-3-methylbutyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.
What is the SMILES notation for N-[(2S)-2-amino-3-methylbutyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The canonical SMILES for N-[(2S)-2-amino-3-methylbutyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is CC(C)[C@H](N)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[(2S)-2-amino-3-methylbutyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The InChIKey is LCROMADRNFAIKT-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H13F9N2O2S/c1-4(2)5(19)3-20-23(21,22)9(17,18)7(12,13)6(10,11)8(14,15)16/h4-5,20H,3,19H2,1-2H3/t5-/m1/s1.
What are the key properties of N-[(2S)-2-amino-3-methylbutyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
N-[(2S)-2-amino-3-methylbutyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide has a molecular weight of 384.26 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-3-methylbutyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is sourced from PubChem (CID 71467027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).