N-(1-amino-4-methylpentan-3-yl)-1,1-difluoromethanesulfonamide

C7H16F2N2O2S — CID 106357426

IUPACN-(1-amino-4-methylpentan-3-yl)-1,1-difluoromethanesulfonamide
SMILESCC(C)C(CCN)NS(=O)(=O)C(F)F
InChIInChI=1S/C7H16F2N2O2S/c1-5(2)6(3-4-10)11-14(12,13)7(8)9/h5-7,11H,3-4,10H2,1-2H3
InChIKeyHKSHGVRHTYWYCL-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.50
Rot. Bonds6

About N-(1-amino-4-methylpentan-3-yl)-1,1-difluoromethanesulfonamide

N-(1-amino-4-methylpentan-3-yl)-1,1-difluoromethanesulfonamide (PubChem CID 106357426) has the molecular formula C7H16F2N2O2S and a molecular weight of 230.28 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-3-yl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-3-yl)-1,1-difluoromethanesulfonamide
PubChem CID106357426
Molecular FormulaC7H16F2N2O2S
Molecular Weight230.28 g/mol
Exact Mass230.09
IUPAC NameN-(1-amino-4-methylpentan-3-yl)-1,1-difluoromethanesulfonamide
SMILESCC(C)C(CCN)NS(=O)(=O)C(F)F
InChIInChI=1S/C7H16F2N2O2S/c1-5(2)6(3-4-10)11-14(12,13)7(8)9/h5-7,11H,3-4,10H2,1-2H3
InChIKeyHKSHGVRHTYWYCL-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-amino-4-methylpentyl]methanesulfonamide
CID 127043189
N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide
CID 139357605
ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide
CID 165393913
N-(2-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide
CID 43606286
N-(2-amino-4-methylpentyl)-1,1,1-trifluoromethanesulfonamide
CID 43606426
N-(1-aminopentan-3-yl)-1,1-difluoromethanesulfonamide
CID 62651065
N-[2-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
CID 62955345
N-(2-amino-2-cyclopropylethyl)-1,1-difluoromethanesulfonamide
CID 63765271
N-(1-amino-4-methylpentan-2-yl)-1,1-difluoromethanesulfonamide
CID 63767726
N-(1-amino-4-methylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 63889721
N-(2-amino-3-methylbutyl)-1,1-difluoromethanesulfonamide
CID 64173996
N-(1-amino-3-methylbutan-2-yl)-1,1-difluoromethanesulfonamide
CID 64419663

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-3-yl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(1-amino-4-methylpentan-3-yl)-1,1-difluoromethanesulfonamide (CID 106357426) is N-(1-amino-4-methylpentan-3-yl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-3-yl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(1-amino-4-methylpentan-3-yl)-1,1-difluoromethanesulfonamide is CC(C)C(CCN)NS(=O)(=O)C(F)F.
What is the InChIKey of N-(1-amino-4-methylpentan-3-yl)-1,1-difluoromethanesulfonamide?
The InChIKey is HKSHGVRHTYWYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2O2S/c1-5(2)6(3-4-10)11-14(12,13)7(8)9/h5-7,11H,3-4,10H2,1-2H3.
What are the key properties of N-(1-amino-4-methylpentan-3-yl)-1,1-difluoromethanesulfonamide?
N-(1-amino-4-methylpentan-3-yl)-1,1-difluoromethanesulfonamide has a molecular weight of 230.28 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-3-yl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 106357426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).