N-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide

C8H17F3N2O2S — CID 123840797

IUPACN-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide
SMILESCCC(N)CCNS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C8H17F3N2O2S/c1-2-7(12)3-5-13-16(14,15)6-4-8(9,10)11/h7,13H,2-6,12H2,1H3
InChIKeyXOJJXJDNLDSUDX-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.99
Rot. Bonds7

About N-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide

N-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide (PubChem CID 123840797) has the molecular formula C8H17F3N2O2S and a molecular weight of 262.30 g/mol. Its IUPAC name is N-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide
PubChem CID123840797
Molecular FormulaC8H17F3N2O2S
Molecular Weight262.30 g/mol
Exact Mass262.10
IUPAC NameN-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide
SMILESCCC(N)CCNS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C8H17F3N2O2S/c1-2-7(12)3-5-13-16(14,15)6-4-8(9,10)11/h7,13H,2-6,12H2,1H3
InChIKeyXOJJXJDNLDSUDX-UHFFFAOYSA-N
XLogP0.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-fluoroethanesulfonamide
CID 123992888
(2R)-2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 130236496
2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 130236498
Rel-N-((1r,4r)-4-aminocyclohexyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 138525563
5,5,6,6,6-pentafluoro-N-hexylhexane-2-sulfonamide
CID 142793501
3-Amino-4,4,4-trifluorobutane-2-sulfonamide
CID 153638558
1-(2,2-Difluoropropylsulfonyl)piperidin-4-amine
CID 155399108
N-(3,3,3-trifluoropropylsulfonimidoyl)hexan-2-amine
CID 162576160
N-[(1R)-3,3-difluorocyclopentyl]-2-methylpropane-2-sulfonamide
CID 163825829
N-propan-2-yl-3-(trifluoromethylsulfonylamino)butane-1-sulfonamide
CID 170039874
N-cyclohexyl-2,2,2-trifluoroethanesulfonamide
CID 175355743
4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
CID 55010617

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide?
The IUPAC name of N-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide (CID 123840797) is N-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide.
What is the SMILES notation for N-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide?
The canonical SMILES for N-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide is CCC(N)CCNS(=O)(=O)CCC(F)(F)F.
What is the InChIKey of N-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide?
The InChIKey is XOJJXJDNLDSUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O2S/c1-2-7(12)3-5-13-16(14,15)6-4-8(9,10)11/h7,13H,2-6,12H2,1H3.
What are the key properties of N-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide?
N-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide has a molecular weight of 262.30 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide is sourced from PubChem (CID 123840797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).