N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide

C10H22F2N2O2S — CID 139357605

IUPACN-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide
SMILESCC(C)C(CNS(C)(=O)=O)C(F)(F)C(C)CN
InChIInChI=1S/C10H22F2N2O2S/c1-7(2)9(6-14-17(4,15)16)10(11,12)8(3)5-13/h7-9,14H,5-6,13H2,1-4H3
InChIKeyJMCRBVSOSQWXIZ-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.04
Rot. Bonds7

About N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide

N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide (PubChem CID 139357605) has the molecular formula C10H22F2N2O2S and a molecular weight of 272.36 g/mol. Its IUPAC name is N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide
PubChem CID139357605
Molecular FormulaC10H22F2N2O2S
Molecular Weight272.36 g/mol
Exact Mass272.14
IUPAC NameN-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide
SMILESCC(C)C(CNS(C)(=O)=O)C(F)(F)C(C)CN
InChIInChI=1S/C10H22F2N2O2S/c1-7(2)9(6-14-17(4,15)16)10(11,12)8(3)5-13/h7-9,14H,5-6,13H2,1-4H3
InChIKeyJMCRBVSOSQWXIZ-UHFFFAOYSA-N
XLogP1.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(aminomethyl)-3,3-dimethylcyclobutyl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 21888392
1,1,1-trifluoro-N-[(2-propylcyclopentyl)methyl]methanesulfonamide
CID 23541518
N-(2,7-dimethyloctyl)-1,1,1-trifluoromethanesulfonamide
CID 88893591
N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide
CID 121432266
N-[[(1S,3S)-2,2-difluoro-3-methylcyclohexyl]methyl]methanesulfonamide
CID 157077652
Bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine
CID 159813378
N-(2-ethyl-2,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide
CID 163926699
ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide
CID 165393913
1,1,1-trifluoro-N-[5-methyl-6-(trifluoromethylsulfonylamino)hexyl]methanesulfonamide
CID 167003100
N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide
CID 177280010
N-(2-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide
CID 43606286
N-(1-amino-4-methylpentan-2-yl)-1,1-difluoromethanesulfonamide
CID 63767726

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide?
The IUPAC name of N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide (CID 139357605) is N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide.
What is the SMILES notation for N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide?
The canonical SMILES for N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide is CC(C)C(CNS(C)(=O)=O)C(F)(F)C(C)CN.
What is the InChIKey of N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide?
The InChIKey is JMCRBVSOSQWXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22F2N2O2S/c1-7(2)9(6-14-17(4,15)16)10(11,12)8(3)5-13/h7-9,14H,5-6,13H2,1-4H3.
What are the key properties of N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide?
N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide has a molecular weight of 272.36 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide is sourced from PubChem (CID 139357605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).