N-[3-(aminomethyl)pentan-3-yl]-3-fluoropropane-1-sulfonamide

C9H21FN2O2S — CID 119981132

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-fluoropropane-1-sulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)CCCF
InChIInChI=1S/C9H21FN2O2S/c1-3-9(4-2,8-11)12-15(13,14)7-5-6-10/h12H,3-8,11H2,1-2H3
InChIKeyJARIRQMJXIGWRZ-UHFFFAOYSA-N
MW240.34 g/mol
LogP0.78
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-3-fluoropropane-1-sulfonamide

N-[3-(aminomethyl)pentan-3-yl]-3-fluoropropane-1-sulfonamide (PubChem CID 119981132) has the molecular formula C9H21FN2O2S and a molecular weight of 240.34 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-fluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-fluoropropane-1-sulfonamide
PubChem CID119981132
Molecular FormulaC9H21FN2O2S
Molecular Weight240.34 g/mol
Exact Mass240.13
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-fluoropropane-1-sulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)CCCF
InChIInChI=1S/C9H21FN2O2S/c1-3-9(4-2,8-11)12-15(13,14)7-5-6-10/h12H,3-8,11H2,1-2H3
InChIKeyJARIRQMJXIGWRZ-UHFFFAOYSA-N
XLogP0.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]ethanesulfonamide
CID 28940534
N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide
CID 61124575
N-(2-amino-2-methylpropyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058658
N-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058802
N-(1-amino-2,4-dimethylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059109
N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059282
N-(2-amino-3-methylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059855
N-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059873
N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83067790
N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83067791
N-(1-amino-2-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83067940
N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83068828

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-fluoropropane-1-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-fluoropropane-1-sulfonamide (CID 119981132) is N-[3-(aminomethyl)pentan-3-yl]-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-fluoropropane-1-sulfonamide is CCC(CC)(CN)NS(=O)(=O)CCCF.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-fluoropropane-1-sulfonamide?
The InChIKey is JARIRQMJXIGWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21FN2O2S/c1-3-9(4-2,8-11)12-15(13,14)7-5-6-10/h12H,3-8,11H2,1-2H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-fluoropropane-1-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-3-fluoropropane-1-sulfonamide has a molecular weight of 240.34 g/mol, XLogP of 0.78, 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]-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 119981132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).