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

C10H21F3N2O2S — CID 83067790

IUPACN-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-3-9(4-2,8-14)15-18(16,17)7-5-6-10(11,12)13/h15H,3-8,14H2,1-2H3
InChIKeyOYRRSNMAJUZRHB-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.77
Rot. Bonds8

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

N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83067790) has the molecular formula C10H21F3N2O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83067790
Molecular FormulaC10H21F3N2O2S
Molecular Weight290.35 g/mol
Exact Mass290.13
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-3-9(4-2,8-14)15-18(16,17)7-5-6-10(11,12)13/h15H,3-8,14H2,1-2H3
InChIKeyOYRRSNMAJUZRHB-UHFFFAOYSA-N
XLogP1.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
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-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluorobutane-1-sulfonamide (CID 83067790) is N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluorobutane-1-sulfonamide is CCC(CC)(CN)NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is OYRRSNMAJUZRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2S/c1-3-9(4-2,8-14)15-18(16,17)7-5-6-10(11,12)13/h15H,3-8,14H2,1-2H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 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-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83067790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).