N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-propylmethanesulfonamide

C9H20F2N2O2S — CID 62009650

IUPACN-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-propylmethanesulfonamide
SMILESCCCN(C(C)(CC)CN)S(=O)(=O)C(F)F
InChIInChI=1S/C9H20F2N2O2S/c1-4-6-13(9(3,5-2)7-12)16(14,15)8(10)11/h8H,4-7,12H2,1-3H3
InChIKeyWMYYEVFNDZASBZ-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.38
Rot. Bonds7

About N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-propylmethanesulfonamide

N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-propylmethanesulfonamide (PubChem CID 62009650) has the molecular formula C9H20F2N2O2S and a molecular weight of 258.33 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-propylmethanesulfonamide
PubChem CID62009650
Molecular FormulaC9H20F2N2O2S
Molecular Weight258.33 g/mol
Exact Mass258.12
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-propylmethanesulfonamide
SMILESCCCN(C(C)(CC)CN)S(=O)(=O)C(F)F
InChIInChI=1S/C9H20F2N2O2S/c1-4-6-13(9(3,5-2)7-12)16(14,15)8(10)11/h8H,4-7,12H2,1-3H3
InChIKeyWMYYEVFNDZASBZ-UHFFFAOYSA-N
XLogP1.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 58821834
N-[(2S)-2-amino-3,3-dimethylbutyl]-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 89050452
N-[(2S)-1-(tert-butylamino)-3-methylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 10913273
2-[4-(Difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 55201393
N-methyl-N-{2-[(3,3,3-trifluoro-1-methylpropyl)amino]ethyl}methanesulfonamide
CID 56701258
N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62008455
N-[1-(aminomethyl)cyclopentyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62008632
N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62008850
N-[1-(aminomethyl)cyclopentyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62009022
N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62009249
N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-methylmethanesulfonamide
CID 62010046
N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1,1-difluoromethanesulfonamide
CID 62010049

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-propylmethanesulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-propylmethanesulfonamide (CID 62009650) is N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-propylmethanesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-propylmethanesulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-propylmethanesulfonamide is CCCN(C(C)(CC)CN)S(=O)(=O)C(F)F.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-propylmethanesulfonamide?
The InChIKey is WMYYEVFNDZASBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2N2O2S/c1-4-6-13(9(3,5-2)7-12)16(14,15)8(10)11/h8H,4-7,12H2,1-3H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-propylmethanesulfonamide?
N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-propylmethanesulfonamide has a molecular weight of 258.33 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-propylmethanesulfonamide is sourced from PubChem (CID 62009650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).