N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide

C11H23F3N2O2S — CID 83067791

IUPACN-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
SMILESCCC(CC)(CN)N(C)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-4-10(5-2,9-15)16(3)19(17,18)8-6-7-11(12,13)14/h4-9,15H2,1-3H3
InChIKeySSBYAQBGDABCCJ-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.11
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide

N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide (PubChem CID 83067791) has the molecular formula C11H23F3N2O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
PubChem CID83067791
Molecular FormulaC11H23F3N2O2S
Molecular Weight304.38 g/mol
Exact Mass304.14
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
SMILESCCC(CC)(CN)N(C)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-4-10(5-2,9-15)16(3)19(17,18)8-6-7-11(12,13)14/h4-9,15H2,1-3H3
InChIKeySSBYAQBGDABCCJ-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide (CID 83067791) is N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide is CCC(CC)(CN)N(C)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The InChIKey is SSBYAQBGDABCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O2S/c1-4-10(5-2,9-15)16(3)19(17,18)8-6-7-11(12,13)14/h4-9,15H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide has a molecular weight of 304.38 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 83067791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).