N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide

C7H16F2N2O2S — CID 61124575

IUPACN-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)C(F)F
InChIInChI=1S/C7H16F2N2O2S/c1-3-7(4-2,5-10)11-14(12,13)6(8)9/h6,11H,3-5,10H2,1-2H3
InChIKeyBXAJESIKSCTQSI-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.65
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide

N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide (PubChem CID 61124575) has the molecular formula C7H16F2N2O2S and a molecular weight of 230.28 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide
PubChem CID61124575
Molecular FormulaC7H16F2N2O2S
Molecular Weight230.28 g/mol
Exact Mass230.09
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)C(F)F
InChIInChI=1S/C7H16F2N2O2S/c1-3-7(4-2,5-10)11-14(12,13)6(8)9/h6,11H,3-5,10H2,1-2H3
InChIKeyBXAJESIKSCTQSI-UHFFFAOYSA-N
XLogP0.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide
CID 165393913
N-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
CID 28940526
N-(2-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide
CID 43606286
N-(1-amino-2-methylpropan-2-yl)-1,1-difluoromethanesulfonamide
CID 61124180
N-(1-amino-2-methylbutan-2-yl)-1,1-difluoromethanesulfonamide
CID 61135208
N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62008455
N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62008850
N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62009249
N-(1-amino-2-methylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 63194629
N-(1-amino-4-methylpentan-2-yl)-1,1-difluoromethanesulfonamide
CID 63767726
N-[3-(aminomethyl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide
CID 63889578
N-(2-amino-3-methylbutyl)-1,1-difluoromethanesulfonamide
CID 64173996

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide (CID 61124575) is N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide is CCC(CC)(CN)NS(=O)(=O)C(F)F.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide?
The InChIKey is BXAJESIKSCTQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2O2S/c1-3-7(4-2,5-10)11-14(12,13)6(8)9/h6,11H,3-5,10H2,1-2H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide has a molecular weight of 230.28 g/mol, XLogP of 0.65, 6 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]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 61124575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).