N-[[1-(aminomethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide

C9H17F3N2O2S — CID 83057952

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCC1(CNS(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)2-1-5-17(15,16)14-7-8(6-13)3-4-8/h14H,1-7,13H2
InChIKeyIOWDAMHSILDTMO-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.99
Rot. Bonds7

About N-[[1-(aminomethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83057952) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83057952
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCC1(CNS(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)2-1-5-17(15,16)14-7-8(6-13)3-4-8/h14H,1-7,13H2
InChIKeyIOWDAMHSILDTMO-UHFFFAOYSA-N
XLogP0.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 83057952) is N-[[1-(aminomethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide is NCC1(CNS(=O)(=O)CCCC(F)(F)F)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is IOWDAMHSILDTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c10-9(11,12)2-1-5-17(15,16)14-7-8(6-13)3-4-8/h14H,1-7,13H2.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 274.31 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-[[1-(aminomethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83057952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).