N-(3-amino-2,2-dimethylpropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide;hydrochloride

C10H22ClF3N2O2S — CID 120875552

IUPACN-(3-amino-2,2-dimethylpropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide;hydrochloride
SMILESCN(CC(C)(C)CN)S(=O)(=O)CCCC(F)(F)F.Cl
InChIInChI=1S/C10H21F3N2O2S.ClH/c1-9(2,7-14)8-15(3)18(16,17)6-4-5-10(11,12)13;/h4-8,14H2,1-3H3;1H
InChIKeyYABRIFVCNXPAQO-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.00
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide;hydrochloride (PubChem CID 120875552) has the molecular formula C10H22ClF3N2O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide;hydrochloride
PubChem CID120875552
Molecular FormulaC10H22ClF3N2O2S
Molecular Weight326.81 g/mol
Exact Mass326.10
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide;hydrochloride
SMILESCN(CC(C)(C)CN)S(=O)(=O)CCCC(F)(F)F.Cl
InChIInChI=1S/C10H21F3N2O2S.ClH/c1-9(2,7-14)8-15(3)18(16,17)6-4-5-10(11,12)13;/h4-8,14H2,1-3H3;1H
InChIKeyYABRIFVCNXPAQO-UHFFFAOYSA-N
XLogP2.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide;hydrochloride (CID 120875552) is N-(3-amino-2,2-dimethylpropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide;hydrochloride is CN(CC(C)(C)CN)S(=O)(=O)CCCC(F)(F)F.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide;hydrochloride?
The InChIKey is YABRIFVCNXPAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2S.ClH/c1-9(2,7-14)8-15(3)18(16,17)6-4-5-10(11,12)13;/h4-8,14H2,1-3H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide;hydrochloride has a molecular weight of 326.81 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120875552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).