N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide

C11H21F3N2O2S — CID 83058656

IUPACN-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
SMILESCN(C1CCCC1CN)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2S/c1-16(10-5-2-4-9(10)8-15)19(17,18)7-3-6-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyWSNLQIGXQKGRJD-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.72
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide

N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide (PubChem CID 83058656) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
PubChem CID83058656
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
SMILESCN(C1CCCC1CN)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2S/c1-16(10-5-2-4-9(10)8-15)19(17,18)7-3-6-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyWSNLQIGXQKGRJD-UHFFFAOYSA-N
XLogP1.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide (CID 83058656) is N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide is CN(C1CCCC1CN)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The InChIKey is WSNLQIGXQKGRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c1-16(10-5-2-4-9(10)8-15)19(17,18)7-3-6-11(12,13)14/h9-10H,2-8,15H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 83058656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).