N-(2-amino-1-cyclopentylethyl)-4,4,4-trifluorobutane-1-sulfonamide

C11H21F3N2O2S — CID 106737843

IUPACN-(2-amino-1-cyclopentylethyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCC(NS(=O)(=O)CCCC(F)(F)F)C1CCCC1
InChIInChI=1S/C11H21F3N2O2S/c12-11(13,14)6-3-7-19(17,18)16-10(8-15)9-4-1-2-5-9/h9-10,16H,1-8,15H2
InChIKeyPMPMJMPRLWJFKC-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.77
Rot. Bonds7

About N-(2-amino-1-cyclopentylethyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(2-amino-1-cyclopentylethyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 106737843) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID106737843
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC NameN-(2-amino-1-cyclopentylethyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCC(NS(=O)(=O)CCCC(F)(F)F)C1CCCC1
InChIInChI=1S/C11H21F3N2O2S/c12-11(13,14)6-3-7-19(17,18)16-10(8-15)9-4-1-2-5-9/h9-10,16H,1-8,15H2
InChIKeyPMPMJMPRLWJFKC-UHFFFAOYSA-N
XLogP1.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-cyclopentyl-2,2-difluoropropane-1-sulfonic acid
CID 11492464
(2S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
CID 11514107
(3S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
CID 11557641
(2R,3R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
CID 11644268
(3R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
CID 11658641
3-Amino-3-cyclopentyl-2,2-difluoropropane-1-sulfonic acid
CID 11665923
(3S)-3-amino-3-cyclopentyl-2,2-difluoropropane-1-sulfonic acid
CID 11665924
(2S,3R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
CID 11673036
(2S,3S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
CID 11680204
(2R)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
CID 11687242
3-Amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
CID 11708392
(2R,3S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
CID 58691999

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 106737843) is N-(2-amino-1-cyclopentylethyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-4,4,4-trifluorobutane-1-sulfonamide is NCC(NS(=O)(=O)CCCC(F)(F)F)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is PMPMJMPRLWJFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c12-11(13,14)6-3-7-19(17,18)16-10(8-15)9-4-1-2-5-9/h9-10,16H,1-8,15H2.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-amino-1-cyclopentylethyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 106737843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).