N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoropropane-1-sulfonamide

C10H23FN2O2S — CID 119985002

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoropropane-1-sulfonamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)CCCF
InChIInChI=1S/C10H23FN2O2S/c1-9(2)7-10(3,8-12)13-16(14,15)6-4-5-11/h9,13H,4-8,12H2,1-3H3
InChIKeyGYCOKHMNAPHVPZ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.03
Rot. Bonds8

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoropropane-1-sulfonamide

N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoropropane-1-sulfonamide (PubChem CID 119985002) has the molecular formula C10H23FN2O2S and a molecular weight of 254.37 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoropropane-1-sulfonamide
PubChem CID119985002
Molecular FormulaC10H23FN2O2S
Molecular Weight254.37 g/mol
Exact Mass254.15
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoropropane-1-sulfonamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)CCCF
InChIInChI=1S/C10H23FN2O2S/c1-9(2)7-10(3,8-12)13-16(14,15)6-4-5-11/h9,13H,4-8,12H2,1-3H3
InChIKeyGYCOKHMNAPHVPZ-UHFFFAOYSA-N
XLogP1.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]ethanesulfonamide
CID 28940534
N-(1-amino-2,4-dimethylpentan-2-yl)methanesulfonamide
CID 84591478
N-[2-[3-fluoro-2-methyl-2-(propan-2-ylsulfonylamino)propyl]cyclopropyl]propane-2-sulfonamide
CID 170176096
N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-fluoropropane-1-sulfonamide
CID 75511416
N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058384
N-(2-amino-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058794
N-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058802
N-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058803
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

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoropropane-1-sulfonamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoropropane-1-sulfonamide (CID 119985002) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoropropane-1-sulfonamide is CC(C)CC(C)(CN)NS(=O)(=O)CCCF.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoropropane-1-sulfonamide?
The InChIKey is GYCOKHMNAPHVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23FN2O2S/c1-9(2)7-10(3,8-12)13-16(14,15)6-4-5-11/h9,13H,4-8,12H2,1-3H3.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoropropane-1-sulfonamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoropropane-1-sulfonamide has a molecular weight of 254.37 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 119985002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).