N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride

C10H22ClF3N2O2S — CID 120875253

IUPACN-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride
SMILESCC(C)CC(CN)NS(=O)(=O)CCCC(F)(F)F.Cl
InChIInChI=1S/C10H21F3N2O2S.ClH/c1-8(2)6-9(7-14)15-18(16,17)5-3-4-10(11,12)13;/h8-9,15H,3-7,14H2,1-2H3;1H
InChIKeyPBJVMDXWDRWLIU-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.04
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride (PubChem CID 120875253) has the molecular formula C10H22ClF3N2O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride
PubChem CID120875253
Molecular FormulaC10H22ClF3N2O2S
Molecular Weight326.81 g/mol
Exact Mass326.10
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride
SMILESCC(C)CC(CN)NS(=O)(=O)CCCC(F)(F)F.Cl
InChIInChI=1S/C10H21F3N2O2S.ClH/c1-8(2)6-9(7-14)15-18(16,17)5-3-4-10(11,12)13;/h8-9,15H,3-7,14H2,1-2H3;1H
InChIKeyPBJVMDXWDRWLIU-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride (CID 120875253) is N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride is CC(C)CC(CN)NS(=O)(=O)CCCC(F)(F)F.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride?
The InChIKey is PBJVMDXWDRWLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2S.ClH/c1-8(2)6-9(7-14)15-18(16,17)5-3-4-10(11,12)13;/h8-9,15H,3-7,14H2,1-2H3;1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride has a molecular weight of 326.81 g/mol, XLogP of 2.04, 8 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-2-yl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120875253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).